Program PWSCF v.5.1.1 starts on 15Jun2016 at 10:48: 0
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 48 processors
R & G space division: proc/nbgrp/npool/nimage = 48
Waiting for input...
Reading input from standard input
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 3
Atomic positions and unit cell read from directory:
./FeCuSe2.save/
file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized
file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized
Subspace diagonalization in iterative solution of the eigenvalue problem:
a serial algorithm will be used
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 43 33 9 1471 987 155
Max 44 34 10 1475 1012 160
Sum 2077 1597 465 70703 47937 7497
bravais-lattice index = 14
lattice parameter (alat) = 10.4398 a.u.
unit-cell volume = 1140.0916 (a.u.)^3
number of atoms/cell = 8
number of atomic types = 3
number of electrons = 62.00
number of Kohn-Sham states= 74
kinetic-energy cutoff = 46.0000 Ry
charge density cutoff = 238.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 10.439791 celldm(2)= 1.000996 celldm(3)= 1.000996
celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( 0.000000 1.000996 0.000000 )
a(3) = ( 0.000000 0.000000 1.000996 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 -0.000000 -0.000000 )
b(2) = ( 0.000000 0.999005 -0.000000 )
b(3) = ( 0.000000 0.000000 0.999005 )
PseudoPot. # 1 for Fe read from file:
/home/autes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 1f786298b0c3f78d6037ec413201e537
Pseudo is Ultrasoft + core correction, Zval = 8.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1191 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
Q(r) pseudized with 0 coefficients
PseudoPot. # 2 for Se read from file:
/home/autes/Pseudo/Se_MT_PBE.UPF
MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307
Pseudo is Norm-conserving, Zval = 6.0
Generated using "atomic" code by A. Dal Corso (espresso distribution)
Using radial grid of 1211 points, 3 beta functions with:
l(1) = 0
l(2) = 1
l(3) = 1
PseudoPot. # 3 for Cu read from file:
/home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF
MD5 check sum: bfb9b73be46f5385f72b338ff57911ad
Pseudo is Ultrasoft + core correction, Zval = 11.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1199 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
Fe 8.00 55.84500 Fe( 1.00)
Se 6.00 78.96000 Se( 1.00)
Cu 11.00 63.54600 Cu( 1.00)
4 Sym. Ops. (no inversion) found
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 180 deg rotation - cart. axis [0,0,1]
cryst. s( 2) = ( -1 0 0 )
( 0 -1 0 )
( 0 0 1 )
cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 3 180 deg rotation - cart. axis [0,1,0]
cryst. s( 3) = ( -1 0 0 )
( 0 1 0 )
( 0 0 -1 )
cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 4 180 deg rotation - cart. axis [1,0,0]
cryst. s( 4) = ( 1 0 0 )
( 0 -1 0 )
( 0 0 -1 )
cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
double point group D_2 (222)
there are 5 classes and 1 irreducible representations
the character table:
E -E C2 C2' C2''
-C2 -C2' -C2''
G_5 2.00 -2.00 0.00 0.00 0.00
the symmetry operations in each class:
E 1
C2 -C2 2 -2
C2' -C2' 3 -3
C2'' -C2'' 4 -4
-E -1
Cartesian axes
number of k points= 360 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778
k( 2) = ( 0.0172414 -0.0000000 -0.0000000), wk = 0.0027778
k( 3) = ( 0.0344828 -0.0000000 -0.0000000), wk = 0.0027778
k( 4) = ( 0.0517241 -0.0000000 -0.0000000), wk = 0.0027778
k( 5) = ( 0.0689655 -0.0000000 -0.0000000), wk = 0.0027778
k( 6) = ( 0.0862069 -0.0000000 -0.0000000), wk = 0.0027778
k( 7) = ( 0.1034483 -0.0000000 -0.0000000), wk = 0.0027778
k( 8) = ( 0.1206897 -0.0000000 -0.0000000), wk = 0.0027778
k( 9) = ( 0.1379310 -0.0000000 -0.0000000), wk = 0.0027778
k( 10) = ( 0.1551724 -0.0000000 -0.0000000), wk = 0.0027778
k( 11) = ( 0.1724138 -0.0000000 -0.0000000), wk = 0.0027778
k( 12) = ( 0.1896552 -0.0000000 -0.0000000), wk = 0.0027778
k( 13) = ( 0.2068966 -0.0000000 -0.0000000), wk = 0.0027778
k( 14) = ( 0.2241379 -0.0000000 -0.0000000), wk = 0.0027778
k( 15) = ( 0.2413793 -0.0000000 -0.0000000), wk = 0.0027778
k( 16) = ( 0.2586207 -0.0000000 -0.0000000), wk = 0.0027778
k( 17) = ( 0.2758621 -0.0000000 -0.0000000), wk = 0.0027778
k( 18) = ( 0.2931034 -0.0000000 -0.0000000), wk = 0.0027778
k( 19) = ( 0.3103448 -0.0000000 -0.0000000), wk = 0.0027778
k( 20) = ( 0.3275862 -0.0000000 -0.0000000), wk = 0.0027778
k( 21) = ( 0.3448276 -0.0000000 -0.0000000), wk = 0.0027778
k( 22) = ( 0.3620690 -0.0000000 -0.0000000), wk = 0.0027778
k( 23) = ( 0.3793103 -0.0000000 -0.0000000), wk = 0.0027778
k( 24) = ( 0.3965517 -0.0000000 -0.0000000), wk = 0.0027778
k( 25) = ( 0.4137931 -0.0000000 -0.0000000), wk = 0.0027778
k( 26) = ( 0.4310345 -0.0000000 -0.0000000), wk = 0.0027778
k( 27) = ( 0.4482759 -0.0000000 -0.0000000), wk = 0.0027778
k( 28) = ( 0.4655172 -0.0000000 -0.0000000), wk = 0.0027778
k( 29) = ( 0.4827586 -0.0000000 -0.0000000), wk = 0.0027778
k( 30) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027778
k( 31) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027778
k( 32) = ( 0.5000000 0.0172242 -0.0000000), wk = 0.0027778
k( 33) = ( 0.5000000 0.0344485 -0.0000000), wk = 0.0027778
k( 34) = ( 0.5000000 0.0516727 -0.0000000), wk = 0.0027778
k( 35) = ( 0.5000000 0.0688969 -0.0000000), wk = 0.0027778
k( 36) = ( 0.5000000 0.0861212 -0.0000000), wk = 0.0027778
k( 37) = ( 0.5000000 0.1033454 -0.0000000), wk = 0.0027778
k( 38) = ( 0.5000000 0.1205696 -0.0000000), wk = 0.0027778
k( 39) = ( 0.5000000 0.1377938 -0.0000000), wk = 0.0027778
k( 40) = ( 0.5000000 0.1550181 -0.0000000), wk = 0.0027778
k( 41) = ( 0.5000000 0.1722423 -0.0000000), wk = 0.0027778
k( 42) = ( 0.5000000 0.1894665 -0.0000000), wk = 0.0027778
k( 43) = ( 0.5000000 0.2066908 -0.0000000), wk = 0.0027778
k( 44) = ( 0.5000000 0.2239150 -0.0000000), wk = 0.0027778
k( 45) = ( 0.5000000 0.2411392 -0.0000000), wk = 0.0027778
k( 46) = ( 0.5000000 0.2583635 -0.0000000), wk = 0.0027778
k( 47) = ( 0.5000000 0.2755877 -0.0000000), wk = 0.0027778
k( 48) = ( 0.5000000 0.2928119 -0.0000000), wk = 0.0027778
k( 49) = ( 0.5000000 0.3100362 -0.0000000), wk = 0.0027778
k( 50) = ( 0.5000000 0.3272604 -0.0000000), wk = 0.0027778
k( 51) = ( 0.5000000 0.3444846 -0.0000000), wk = 0.0027778
k( 52) = ( 0.5000000 0.3617089 -0.0000000), wk = 0.0027778
k( 53) = ( 0.5000000 0.3789331 -0.0000000), wk = 0.0027778
k( 54) = ( 0.5000000 0.3961573 -0.0000000), wk = 0.0027778
k( 55) = ( 0.5000000 0.4133816 -0.0000000), wk = 0.0027778
k( 56) = ( 0.5000000 0.4306058 -0.0000000), wk = 0.0027778
k( 57) = ( 0.5000000 0.4478300 -0.0000000), wk = 0.0027778
k( 58) = ( 0.5000000 0.4650542 -0.0000000), wk = 0.0027778
k( 59) = ( 0.5000000 0.4822785 -0.0000000), wk = 0.0027778
k( 60) = ( 0.5000000 0.4995027 -0.0000000), wk = 0.0027778
k( 61) = ( 0.5000000 0.4995027 -0.0000000), wk = 0.0027778
k( 62) = ( 0.4827586 0.4995027 -0.0000000), wk = 0.0027778
k( 63) = ( 0.4655172 0.4995027 -0.0000000), wk = 0.0027778
k( 64) = ( 0.4482759 0.4995027 -0.0000000), wk = 0.0027778
k( 65) = ( 0.4310345 0.4995027 -0.0000000), wk = 0.0027778
k( 66) = ( 0.4137931 0.4995027 -0.0000000), wk = 0.0027778
k( 67) = ( 0.3965517 0.4995027 -0.0000000), wk = 0.0027778
k( 68) = ( 0.3793103 0.4995027 -0.0000000), wk = 0.0027778
k( 69) = ( 0.3620690 0.4995027 -0.0000000), wk = 0.0027778
k( 70) = ( 0.3448276 0.4995027 -0.0000000), wk = 0.0027778
k( 71) = ( 0.3275862 0.4995027 -0.0000000), wk = 0.0027778
k( 72) = ( 0.3103448 0.4995027 -0.0000000), wk = 0.0027778
k( 73) = ( 0.2931034 0.4995027 -0.0000000), wk = 0.0027778
k( 74) = ( 0.2758621 0.4995027 -0.0000000), wk = 0.0027778
k( 75) = ( 0.2586207 0.4995027 -0.0000000), wk = 0.0027778
k( 76) = ( 0.2413793 0.4995027 -0.0000000), wk = 0.0027778
k( 77) = ( 0.2241379 0.4995027 -0.0000000), wk = 0.0027778
k( 78) = ( 0.2068966 0.4995027 -0.0000000), wk = 0.0027778
k( 79) = ( 0.1896552 0.4995027 -0.0000000), wk = 0.0027778
k( 80) = ( 0.1724138 0.4995027 -0.0000000), wk = 0.0027778
k( 81) = ( 0.1551724 0.4995027 -0.0000000), wk = 0.0027778
k( 82) = ( 0.1379310 0.4995027 -0.0000000), wk = 0.0027778
k( 83) = ( 0.1206897 0.4995027 -0.0000000), wk = 0.0027778
k( 84) = ( 0.1034483 0.4995027 -0.0000000), wk = 0.0027778
k( 85) = ( 0.0862069 0.4995027 -0.0000000), wk = 0.0027778
k( 86) = ( 0.0689655 0.4995027 -0.0000000), wk = 0.0027778
k( 87) = ( 0.0517241 0.4995027 -0.0000000), wk = 0.0027778
k( 88) = ( 0.0344828 0.4995027 -0.0000000), wk = 0.0027778
k( 89) = ( 0.0172414 0.4995027 -0.0000000), wk = 0.0027778
k( 90) = ( 0.0000000 0.4995027 -0.0000000), wk = 0.0027778
k( 91) = ( 0.0000000 0.4995027 -0.0000000), wk = 0.0027778
k( 92) = ( 0.0000000 0.4822785 -0.0000000), wk = 0.0027778
k( 93) = ( 0.0000000 0.4650542 -0.0000000), wk = 0.0027778
k( 94) = ( 0.0000000 0.4478300 -0.0000000), wk = 0.0027778
k( 95) = ( 0.0000000 0.4306058 -0.0000000), wk = 0.0027778
k( 96) = ( 0.0000000 0.4133816 -0.0000000), wk = 0.0027778
k( 97) = ( 0.0000000 0.3961573 -0.0000000), wk = 0.0027778
k( 98) = ( 0.0000000 0.3789331 -0.0000000), wk = 0.0027778
k( 99) = ( 0.0000000 0.3617089 -0.0000000), wk = 0.0027778
k( 100) = ( 0.0000000 0.3444846 -0.0000000), wk = 0.0027778
k( 101) = ( 0.0000000 0.3272604 -0.0000000), wk = 0.0027778
k( 102) = ( 0.0000000 0.3100362 -0.0000000), wk = 0.0027778
k( 103) = ( 0.0000000 0.2928119 -0.0000000), wk = 0.0027778
k( 104) = ( 0.0000000 0.2755877 -0.0000000), wk = 0.0027778
k( 105) = ( 0.0000000 0.2583635 -0.0000000), wk = 0.0027778
k( 106) = ( 0.0000000 0.2411392 -0.0000000), wk = 0.0027778
k( 107) = ( 0.0000000 0.2239150 -0.0000000), wk = 0.0027778
k( 108) = ( 0.0000000 0.2066908 -0.0000000), wk = 0.0027778
k( 109) = ( 0.0000000 0.1894665 -0.0000000), wk = 0.0027778
k( 110) = ( 0.0000000 0.1722423 -0.0000000), wk = 0.0027778
k( 111) = ( 0.0000000 0.1550181 -0.0000000), wk = 0.0027778
k( 112) = ( 0.0000000 0.1377938 -0.0000000), wk = 0.0027778
k( 113) = ( 0.0000000 0.1205696 -0.0000000), wk = 0.0027778
k( 114) = ( 0.0000000 0.1033454 -0.0000000), wk = 0.0027778
k( 115) = ( 0.0000000 0.0861212 -0.0000000), wk = 0.0027778
k( 116) = ( 0.0000000 0.0688969 -0.0000000), wk = 0.0027778
k( 117) = ( 0.0000000 0.0516727 -0.0000000), wk = 0.0027778
k( 118) = ( 0.0000000 0.0344485 -0.0000000), wk = 0.0027778
k( 119) = ( 0.0000000 0.0172242 -0.0000000), wk = 0.0027778
k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778
k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778
k( 122) = ( 0.0000000 0.0000000 0.0172242), wk = 0.0027778
k( 123) = ( 0.0000000 0.0000000 0.0344485), wk = 0.0027778
k( 124) = ( 0.0000000 0.0000000 0.0516727), wk = 0.0027778
k( 125) = ( 0.0000000 0.0000000 0.0688969), wk = 0.0027778
k( 126) = ( 0.0000000 0.0000000 0.0861212), wk = 0.0027778
k( 127) = ( 0.0000000 0.0000000 0.1033454), wk = 0.0027778
k( 128) = ( 0.0000000 0.0000000 0.1205696), wk = 0.0027778
k( 129) = ( 0.0000000 0.0000000 0.1377938), wk = 0.0027778
k( 130) = ( 0.0000000 0.0000000 0.1550181), wk = 0.0027778
k( 131) = ( 0.0000000 0.0000000 0.1722423), wk = 0.0027778
k( 132) = ( 0.0000000 0.0000000 0.1894665), wk = 0.0027778
k( 133) = ( 0.0000000 0.0000000 0.2066908), wk = 0.0027778
k( 134) = ( 0.0000000 0.0000000 0.2239150), wk = 0.0027778
k( 135) = ( 0.0000000 0.0000000 0.2411392), wk = 0.0027778
k( 136) = ( 0.0000000 0.0000000 0.2583635), wk = 0.0027778
k( 137) = ( 0.0000000 0.0000000 0.2755877), wk = 0.0027778
k( 138) = ( 0.0000000 0.0000000 0.2928119), wk = 0.0027778
k( 139) = ( 0.0000000 0.0000000 0.3100362), wk = 0.0027778
k( 140) = ( 0.0000000 0.0000000 0.3272604), wk = 0.0027778
k( 141) = ( 0.0000000 0.0000000 0.3444846), wk = 0.0027778
k( 142) = ( 0.0000000 0.0000000 0.3617089), wk = 0.0027778
k( 143) = ( 0.0000000 0.0000000 0.3789331), wk = 0.0027778
k( 144) = ( 0.0000000 0.0000000 0.3961573), wk = 0.0027778
k( 145) = ( 0.0000000 0.0000000 0.4133816), wk = 0.0027778
k( 146) = ( 0.0000000 0.0000000 0.4306058), wk = 0.0027778
k( 147) = ( 0.0000000 0.0000000 0.4478300), wk = 0.0027778
k( 148) = ( 0.0000000 0.0000000 0.4650542), wk = 0.0027778
k( 149) = ( 0.0000000 0.0000000 0.4822785), wk = 0.0027778
k( 150) = ( 0.0000000 0.0000000 0.4995027), wk = 0.0027778
k( 151) = ( 0.0000000 0.0000000 0.4995027), wk = 0.0027778
k( 152) = ( 0.0172414 -0.0000000 0.4995027), wk = 0.0027778
k( 153) = ( 0.0344828 -0.0000000 0.4995027), wk = 0.0027778
k( 154) = ( 0.0517241 -0.0000000 0.4995027), wk = 0.0027778
k( 155) = ( 0.0689655 -0.0000000 0.4995027), wk = 0.0027778
k( 156) = ( 0.0862069 -0.0000000 0.4995027), wk = 0.0027778
k( 157) = ( 0.1034483 -0.0000000 0.4995027), wk = 0.0027778
k( 158) = ( 0.1206897 -0.0000000 0.4995027), wk = 0.0027778
k( 159) = ( 0.1379310 -0.0000000 0.4995027), wk = 0.0027778
k( 160) = ( 0.1551724 -0.0000000 0.4995027), wk = 0.0027778
k( 161) = ( 0.1724138 -0.0000000 0.4995027), wk = 0.0027778
k( 162) = ( 0.1896552 -0.0000000 0.4995027), wk = 0.0027778
k( 163) = ( 0.2068966 -0.0000000 0.4995027), wk = 0.0027778
k( 164) = ( 0.2241379 -0.0000000 0.4995027), wk = 0.0027778
k( 165) = ( 0.2413793 -0.0000000 0.4995027), wk = 0.0027778
k( 166) = ( 0.2586207 -0.0000000 0.4995027), wk = 0.0027778
k( 167) = ( 0.2758621 -0.0000000 0.4995027), wk = 0.0027778
k( 168) = ( 0.2931034 -0.0000000 0.4995027), wk = 0.0027778
k( 169) = ( 0.3103448 -0.0000000 0.4995027), wk = 0.0027778
k( 170) = ( 0.3275862 -0.0000000 0.4995027), wk = 0.0027778
k( 171) = ( 0.3448276 -0.0000000 0.4995027), wk = 0.0027778
k( 172) = ( 0.3620690 -0.0000000 0.4995027), wk = 0.0027778
k( 173) = ( 0.3793103 -0.0000000 0.4995027), wk = 0.0027778
k( 174) = ( 0.3965517 -0.0000000 0.4995027), wk = 0.0027778
k( 175) = ( 0.4137931 -0.0000000 0.4995027), wk = 0.0027778
k( 176) = ( 0.4310345 -0.0000000 0.4995027), wk = 0.0027778
k( 177) = ( 0.4482759 -0.0000000 0.4995027), wk = 0.0027778
k( 178) = ( 0.4655172 -0.0000000 0.4995027), wk = 0.0027778
k( 179) = ( 0.4827586 -0.0000000 0.4995027), wk = 0.0027778
k( 180) = ( 0.5000000 -0.0000000 0.4995027), wk = 0.0027778
k( 181) = ( 0.5000000 -0.0000000 0.4995027), wk = 0.0027778
k( 182) = ( 0.5000000 0.0172242 0.4995027), wk = 0.0027778
k( 183) = ( 0.5000000 0.0344485 0.4995027), wk = 0.0027778
k( 184) = ( 0.5000000 0.0516727 0.4995027), wk = 0.0027778
k( 185) = ( 0.5000000 0.0688969 0.4995027), wk = 0.0027778
k( 186) = ( 0.5000000 0.0861212 0.4995027), wk = 0.0027778
k( 187) = ( 0.5000000 0.1033454 0.4995027), wk = 0.0027778
k( 188) = ( 0.5000000 0.1205696 0.4995027), wk = 0.0027778
k( 189) = ( 0.5000000 0.1377938 0.4995027), wk = 0.0027778
k( 190) = ( 0.5000000 0.1550181 0.4995027), wk = 0.0027778
k( 191) = ( 0.5000000 0.1722423 0.4995027), wk = 0.0027778
k( 192) = ( 0.5000000 0.1894665 0.4995027), wk = 0.0027778
k( 193) = ( 0.5000000 0.2066908 0.4995027), wk = 0.0027778
k( 194) = ( 0.5000000 0.2239150 0.4995027), wk = 0.0027778
k( 195) = ( 0.5000000 0.2411392 0.4995027), wk = 0.0027778
k( 196) = ( 0.5000000 0.2583635 0.4995027), wk = 0.0027778
k( 197) = ( 0.5000000 0.2755877 0.4995027), wk = 0.0027778
k( 198) = ( 0.5000000 0.2928119 0.4995027), wk = 0.0027778
k( 199) = ( 0.5000000 0.3100362 0.4995027), wk = 0.0027778
k( 200) = ( 0.5000000 0.3272604 0.4995027), wk = 0.0027778
k( 201) = ( 0.5000000 0.3444846 0.4995027), wk = 0.0027778
k( 202) = ( 0.5000000 0.3617089 0.4995027), wk = 0.0027778
k( 203) = ( 0.5000000 0.3789331 0.4995027), wk = 0.0027778
k( 204) = ( 0.5000000 0.3961573 0.4995027), wk = 0.0027778
k( 205) = ( 0.5000000 0.4133816 0.4995027), wk = 0.0027778
k( 206) = ( 0.5000000 0.4306058 0.4995027), wk = 0.0027778
k( 207) = ( 0.5000000 0.4478300 0.4995027), wk = 0.0027778
k( 208) = ( 0.5000000 0.4650542 0.4995027), wk = 0.0027778
k( 209) = ( 0.5000000 0.4822785 0.4995027), wk = 0.0027778
k( 210) = ( 0.5000000 0.4995027 0.4995027), wk = 0.0027778
k( 211) = ( 0.5000000 0.4995027 0.4995027), wk = 0.0027778
k( 212) = ( 0.4827586 0.4995027 0.4995027), wk = 0.0027778
k( 213) = ( 0.4655172 0.4995027 0.4995027), wk = 0.0027778
k( 214) = ( 0.4482759 0.4995027 0.4995027), wk = 0.0027778
k( 215) = ( 0.4310345 0.4995027 0.4995027), wk = 0.0027778
k( 216) = ( 0.4137931 0.4995027 0.4995027), wk = 0.0027778
k( 217) = ( 0.3965517 0.4995027 0.4995027), wk = 0.0027778
k( 218) = ( 0.3793103 0.4995027 0.4995027), wk = 0.0027778
k( 219) = ( 0.3620690 0.4995027 0.4995027), wk = 0.0027778
k( 220) = ( 0.3448276 0.4995027 0.4995027), wk = 0.0027778
k( 221) = ( 0.3275862 0.4995027 0.4995027), wk = 0.0027778
k( 222) = ( 0.3103448 0.4995027 0.4995027), wk = 0.0027778
k( 223) = ( 0.2931034 0.4995027 0.4995027), wk = 0.0027778
k( 224) = ( 0.2758621 0.4995027 0.4995027), wk = 0.0027778
k( 225) = ( 0.2586207 0.4995027 0.4995027), wk = 0.0027778
k( 226) = ( 0.2413793 0.4995027 0.4995027), wk = 0.0027778
k( 227) = ( 0.2241379 0.4995027 0.4995027), wk = 0.0027778
k( 228) = ( 0.2068966 0.4995027 0.4995027), wk = 0.0027778
k( 229) = ( 0.1896552 0.4995027 0.4995027), wk = 0.0027778
k( 230) = ( 0.1724138 0.4995027 0.4995027), wk = 0.0027778
k( 231) = ( 0.1551724 0.4995027 0.4995027), wk = 0.0027778
k( 232) = ( 0.1379310 0.4995027 0.4995027), wk = 0.0027778
k( 233) = ( 0.1206897 0.4995027 0.4995027), wk = 0.0027778
k( 234) = ( 0.1034483 0.4995027 0.4995027), wk = 0.0027778
k( 235) = ( 0.0862069 0.4995027 0.4995027), wk = 0.0027778
k( 236) = ( 0.0689655 0.4995027 0.4995027), wk = 0.0027778
k( 237) = ( 0.0517241 0.4995027 0.4995027), wk = 0.0027778
k( 238) = ( 0.0344828 0.4995027 0.4995027), wk = 0.0027778
k( 239) = ( 0.0172414 0.4995027 0.4995027), wk = 0.0027778
k( 240) = ( 0.0000000 0.4995027 0.4995027), wk = 0.0027778
k( 241) = ( 0.0000000 0.4995027 0.4995027), wk = 0.0027778
k( 242) = ( 0.0000000 0.4822785 0.4995027), wk = 0.0027778
k( 243) = ( 0.0000000 0.4650542 0.4995027), wk = 0.0027778
k( 244) = ( 0.0000000 0.4478300 0.4995027), wk = 0.0027778
k( 245) = ( 0.0000000 0.4306058 0.4995027), wk = 0.0027778
k( 246) = ( 0.0000000 0.4133816 0.4995027), wk = 0.0027778
k( 247) = ( 0.0000000 0.3961573 0.4995027), wk = 0.0027778
k( 248) = ( 0.0000000 0.3789331 0.4995027), wk = 0.0027778
k( 249) = ( 0.0000000 0.3617089 0.4995027), wk = 0.0027778
k( 250) = ( 0.0000000 0.3444846 0.4995027), wk = 0.0027778
k( 251) = ( 0.0000000 0.3272604 0.4995027), wk = 0.0027778
k( 252) = ( 0.0000000 0.3100362 0.4995027), wk = 0.0027778
k( 253) = ( 0.0000000 0.2928119 0.4995027), wk = 0.0027778
k( 254) = ( 0.0000000 0.2755877 0.4995027), wk = 0.0027778
k( 255) = ( 0.0000000 0.2583635 0.4995027), wk = 0.0027778
k( 256) = ( 0.0000000 0.2411392 0.4995027), wk = 0.0027778
k( 257) = ( 0.0000000 0.2239150 0.4995027), wk = 0.0027778
k( 258) = ( 0.0000000 0.2066908 0.4995027), wk = 0.0027778
k( 259) = ( 0.0000000 0.1894665 0.4995027), wk = 0.0027778
k( 260) = ( 0.0000000 0.1722423 0.4995027), wk = 0.0027778
k( 261) = ( 0.0000000 0.1550181 0.4995027), wk = 0.0027778
k( 262) = ( 0.0000000 0.1377938 0.4995027), wk = 0.0027778
k( 263) = ( 0.0000000 0.1205696 0.4995027), wk = 0.0027778
k( 264) = ( 0.0000000 0.1033454 0.4995027), wk = 0.0027778
k( 265) = ( 0.0000000 0.0861212 0.4995027), wk = 0.0027778
k( 266) = ( 0.0000000 0.0688969 0.4995027), wk = 0.0027778
k( 267) = ( 0.0000000 0.0516727 0.4995027), wk = 0.0027778
k( 268) = ( 0.0000000 0.0344485 0.4995027), wk = 0.0027778
k( 269) = ( 0.0000000 0.0172242 0.4995027), wk = 0.0027778
k( 270) = ( 0.0000000 0.0000000 0.4995027), wk = 0.0027778
k( 271) = ( 0.0000000 0.4995027 -0.0000000), wk = 0.0027778
k( 272) = ( 0.0000000 0.4995027 0.0172242), wk = 0.0027778
k( 273) = ( 0.0000000 0.4995027 0.0344485), wk = 0.0027778
k( 274) = ( 0.0000000 0.4995027 0.0516727), wk = 0.0027778
k( 275) = ( 0.0000000 0.4995027 0.0688969), wk = 0.0027778
k( 276) = ( 0.0000000 0.4995027 0.0861212), wk = 0.0027778
k( 277) = ( 0.0000000 0.4995027 0.1033454), wk = 0.0027778
k( 278) = ( 0.0000000 0.4995027 0.1205696), wk = 0.0027778
k( 279) = ( 0.0000000 0.4995027 0.1377938), wk = 0.0027778
k( 280) = ( 0.0000000 0.4995027 0.1550181), wk = 0.0027778
k( 281) = ( 0.0000000 0.4995027 0.1722423), wk = 0.0027778
k( 282) = ( 0.0000000 0.4995027 0.1894665), wk = 0.0027778
k( 283) = ( 0.0000000 0.4995027 0.2066908), wk = 0.0027778
k( 284) = ( 0.0000000 0.4995027 0.2239150), wk = 0.0027778
k( 285) = ( 0.0000000 0.4995027 0.2411392), wk = 0.0027778
k( 286) = ( 0.0000000 0.4995027 0.2583635), wk = 0.0027778
k( 287) = ( 0.0000000 0.4995027 0.2755877), wk = 0.0027778
k( 288) = ( 0.0000000 0.4995027 0.2928119), wk = 0.0027778
k( 289) = ( 0.0000000 0.4995027 0.3100362), wk = 0.0027778
k( 290) = ( 0.0000000 0.4995027 0.3272604), wk = 0.0027778
k( 291) = ( 0.0000000 0.4995027 0.3444846), wk = 0.0027778
k( 292) = ( 0.0000000 0.4995027 0.3617089), wk = 0.0027778
k( 293) = ( 0.0000000 0.4995027 0.3789331), wk = 0.0027778
k( 294) = ( 0.0000000 0.4995027 0.3961573), wk = 0.0027778
k( 295) = ( 0.0000000 0.4995027 0.4133816), wk = 0.0027778
k( 296) = ( 0.0000000 0.4995027 0.4306058), wk = 0.0027778
k( 297) = ( 0.0000000 0.4995027 0.4478300), wk = 0.0027778
k( 298) = ( 0.0000000 0.4995027 0.4650542), wk = 0.0027778
k( 299) = ( 0.0000000 0.4995027 0.4822785), wk = 0.0027778
k( 300) = ( 0.0000000 0.4995027 0.4995027), wk = 0.0027778
k( 301) = ( 0.5000000 -0.0000000 0.4995027), wk = 0.0027778
k( 302) = ( 0.5000000 -0.0000000 0.4822785), wk = 0.0027778
k( 303) = ( 0.5000000 -0.0000000 0.4650542), wk = 0.0027778
k( 304) = ( 0.5000000 -0.0000000 0.4478300), wk = 0.0027778
k( 305) = ( 0.5000000 -0.0000000 0.4306058), wk = 0.0027778
k( 306) = ( 0.5000000 -0.0000000 0.4133816), wk = 0.0027778
k( 307) = ( 0.5000000 -0.0000000 0.3961573), wk = 0.0027778
k( 308) = ( 0.5000000 -0.0000000 0.3789331), wk = 0.0027778
k( 309) = ( 0.5000000 -0.0000000 0.3617089), wk = 0.0027778
k( 310) = ( 0.5000000 -0.0000000 0.3444846), wk = 0.0027778
k( 311) = ( 0.5000000 -0.0000000 0.3272604), wk = 0.0027778
k( 312) = ( 0.5000000 -0.0000000 0.3100362), wk = 0.0027778
k( 313) = ( 0.5000000 -0.0000000 0.2928119), wk = 0.0027778
k( 314) = ( 0.5000000 -0.0000000 0.2755877), wk = 0.0027778
k( 315) = ( 0.5000000 -0.0000000 0.2583635), wk = 0.0027778
k( 316) = ( 0.5000000 -0.0000000 0.2411392), wk = 0.0027778
k( 317) = ( 0.5000000 -0.0000000 0.2239150), wk = 0.0027778
k( 318) = ( 0.5000000 -0.0000000 0.2066908), wk = 0.0027778
k( 319) = ( 0.5000000 -0.0000000 0.1894665), wk = 0.0027778
k( 320) = ( 0.5000000 -0.0000000 0.1722423), wk = 0.0027778
k( 321) = ( 0.5000000 -0.0000000 0.1550181), wk = 0.0027778
k( 322) = ( 0.5000000 -0.0000000 0.1377938), wk = 0.0027778
k( 323) = ( 0.5000000 -0.0000000 0.1205696), wk = 0.0027778
k( 324) = ( 0.5000000 -0.0000000 0.1033454), wk = 0.0027778
k( 325) = ( 0.5000000 -0.0000000 0.0861212), wk = 0.0027778
k( 326) = ( 0.5000000 -0.0000000 0.0688969), wk = 0.0027778
k( 327) = ( 0.5000000 -0.0000000 0.0516727), wk = 0.0027778
k( 328) = ( 0.5000000 -0.0000000 0.0344485), wk = 0.0027778
k( 329) = ( 0.5000000 -0.0000000 0.0172242), wk = 0.0027778
k( 330) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027778
k( 331) = ( 0.5000000 0.4995027 -0.0000000), wk = 0.0027778
k( 332) = ( 0.5000000 0.4995027 0.0172242), wk = 0.0027778
k( 333) = ( 0.5000000 0.4995027 0.0344485), wk = 0.0027778
k( 334) = ( 0.5000000 0.4995027 0.0516727), wk = 0.0027778
k( 335) = ( 0.5000000 0.4995027 0.0688969), wk = 0.0027778
k( 336) = ( 0.5000000 0.4995027 0.0861212), wk = 0.0027778
k( 337) = ( 0.5000000 0.4995027 0.1033454), wk = 0.0027778
k( 338) = ( 0.5000000 0.4995027 0.1205696), wk = 0.0027778
k( 339) = ( 0.5000000 0.4995027 0.1377938), wk = 0.0027778
k( 340) = ( 0.5000000 0.4995027 0.1550181), wk = 0.0027778
k( 341) = ( 0.5000000 0.4995027 0.1722423), wk = 0.0027778
k( 342) = ( 0.5000000 0.4995027 0.1894665), wk = 0.0027778
k( 343) = ( 0.5000000 0.4995027 0.2066908), wk = 0.0027778
k( 344) = ( 0.5000000 0.4995027 0.2239150), wk = 0.0027778
k( 345) = ( 0.5000000 0.4995027 0.2411392), wk = 0.0027778
k( 346) = ( 0.5000000 0.4995027 0.2583635), wk = 0.0027778
k( 347) = ( 0.5000000 0.4995027 0.2755877), wk = 0.0027778
k( 348) = ( 0.5000000 0.4995027 0.2928119), wk = 0.0027778
k( 349) = ( 0.5000000 0.4995027 0.3100362), wk = 0.0027778
k( 350) = ( 0.5000000 0.4995027 0.3272604), wk = 0.0027778
k( 351) = ( 0.5000000 0.4995027 0.3444846), wk = 0.0027778
k( 352) = ( 0.5000000 0.4995027 0.3617089), wk = 0.0027778
k( 353) = ( 0.5000000 0.4995027 0.3789331), wk = 0.0027778
k( 354) = ( 0.5000000 0.4995027 0.3961573), wk = 0.0027778
k( 355) = ( 0.5000000 0.4995027 0.4133816), wk = 0.0027778
k( 356) = ( 0.5000000 0.4995027 0.4306058), wk = 0.0027778
k( 357) = ( 0.5000000 0.4995027 0.4478300), wk = 0.0027778
k( 358) = ( 0.5000000 0.4995027 0.4650542), wk = 0.0027778
k( 359) = ( 0.5000000 0.4995027 0.4822785), wk = 0.0027778
k( 360) = ( 0.5000000 0.4995027 0.4995027), wk = 0.0027778
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778
k( 2) = ( 0.0172414 0.0000000 0.0000000), wk = 0.0027778
k( 3) = ( 0.0344828 0.0000000 0.0000000), wk = 0.0027778
k( 4) = ( 0.0517241 0.0000000 0.0000000), wk = 0.0027778
k( 5) = ( 0.0689655 0.0000000 0.0000000), wk = 0.0027778
k( 6) = ( 0.0862069 0.0000000 0.0000000), wk = 0.0027778
k( 7) = ( 0.1034483 0.0000000 0.0000000), wk = 0.0027778
k( 8) = ( 0.1206897 0.0000000 0.0000000), wk = 0.0027778
k( 9) = ( 0.1379310 -0.0000000 -0.0000000), wk = 0.0027778
k( 10) = ( 0.1551724 0.0000000 0.0000000), wk = 0.0027778
k( 11) = ( 0.1724138 0.0000000 0.0000000), wk = 0.0027778
k( 12) = ( 0.1896552 0.0000000 0.0000000), wk = 0.0027778
k( 13) = ( 0.2068966 0.0000000 0.0000000), wk = 0.0027778
k( 14) = ( 0.2241379 0.0000000 0.0000000), wk = 0.0027778
k( 15) = ( 0.2413793 0.0000000 0.0000000), wk = 0.0027778
k( 16) = ( 0.2586207 -0.0000000 -0.0000000), wk = 0.0027778
k( 17) = ( 0.2758621 0.0000000 0.0000000), wk = 0.0027778
k( 18) = ( 0.2931034 0.0000000 0.0000000), wk = 0.0027778
k( 19) = ( 0.3103448 0.0000000 -0.0000000), wk = 0.0027778
k( 20) = ( 0.3275862 0.0000000 0.0000000), wk = 0.0027778
k( 21) = ( 0.3448276 -0.0000000 -0.0000000), wk = 0.0027778
k( 22) = ( 0.3620690 -0.0000000 -0.0000000), wk = 0.0027778
k( 23) = ( 0.3793103 0.0000000 0.0000000), wk = 0.0027778
k( 24) = ( 0.3965517 0.0000000 -0.0000000), wk = 0.0027778
k( 25) = ( 0.4137931 0.0000000 0.0000000), wk = 0.0027778
k( 26) = ( 0.4310345 0.0000000 0.0000000), wk = 0.0027778
k( 27) = ( 0.4482759 0.0000000 0.0000000), wk = 0.0027778
k( 28) = ( 0.4655172 0.0000000 -0.0000000), wk = 0.0027778
k( 29) = ( 0.4827586 0.0000000 0.0000000), wk = 0.0027778
k( 30) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027778
k( 31) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027778
k( 32) = ( 0.5000000 0.0172414 0.0000000), wk = 0.0027778
k( 33) = ( 0.5000000 0.0344828 0.0000000), wk = 0.0027778
k( 34) = ( 0.5000000 0.0517241 0.0000000), wk = 0.0027778
k( 35) = ( 0.5000000 0.0689655 -0.0000000), wk = 0.0027778
k( 36) = ( 0.5000000 0.0862069 0.0000000), wk = 0.0027778
k( 37) = ( 0.5000000 0.1034483 -0.0000000), wk = 0.0027778
k( 38) = ( 0.5000000 0.1206897 0.0000000), wk = 0.0027778
k( 39) = ( 0.5000000 0.1379310 -0.0000000), wk = 0.0027778
k( 40) = ( 0.5000000 0.1551724 0.0000000), wk = 0.0027778
k( 41) = ( 0.5000000 0.1724138 0.0000000), wk = 0.0027778
k( 42) = ( 0.5000000 0.1896552 0.0000000), wk = 0.0027778
k( 43) = ( 0.5000000 0.2068966 0.0000000), wk = 0.0027778
k( 44) = ( 0.5000000 0.2241379 0.0000000), wk = 0.0027778
k( 45) = ( 0.5000000 0.2413793 0.0000000), wk = 0.0027778
k( 46) = ( 0.5000000 0.2586207 0.0000000), wk = 0.0027778
k( 47) = ( 0.5000000 0.2758621 0.0000000), wk = 0.0027778
k( 48) = ( 0.5000000 0.2931034 0.0000000), wk = 0.0027778
k( 49) = ( 0.5000000 0.3103448 -0.0000000), wk = 0.0027778
k( 50) = ( 0.5000000 0.3275862 0.0000000), wk = 0.0027778
k( 51) = ( 0.5000000 0.3448276 -0.0000000), wk = 0.0027778
k( 52) = ( 0.5000000 0.3620690 0.0000000), wk = 0.0027778
k( 53) = ( 0.5000000 0.3793103 -0.0000000), wk = 0.0027778
k( 54) = ( 0.5000000 0.3965517 0.0000000), wk = 0.0027778
k( 55) = ( 0.5000000 0.4137931 0.0000000), wk = 0.0027778
k( 56) = ( 0.5000000 0.4310345 0.0000000), wk = 0.0027778
k( 57) = ( 0.5000000 0.4482759 0.0000000), wk = 0.0027778
k( 58) = ( 0.5000000 0.4655172 0.0000000), wk = 0.0027778
k( 59) = ( 0.5000000 0.4827586 0.0000000), wk = 0.0027778
k( 60) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027778
k( 61) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027778
k( 62) = ( 0.4827586 0.5000000 0.0000000), wk = 0.0027778
k( 63) = ( 0.4655172 0.5000000 -0.0000000), wk = 0.0027778
k( 64) = ( 0.4482759 0.5000000 0.0000000), wk = 0.0027778
k( 65) = ( 0.4310345 0.5000000 0.0000000), wk = 0.0027778
k( 66) = ( 0.4137931 0.5000000 0.0000000), wk = 0.0027778
k( 67) = ( 0.3965517 0.5000000 -0.0000000), wk = 0.0027778
k( 68) = ( 0.3793103 0.5000000 -0.0000000), wk = 0.0027778
k( 69) = ( 0.3620690 0.5000000 -0.0000000), wk = 0.0027778
k( 70) = ( 0.3448276 0.5000000 -0.0000000), wk = 0.0027778
k( 71) = ( 0.3275862 0.5000000 0.0000000), wk = 0.0027778
k( 72) = ( 0.3103448 0.5000000 0.0000000), wk = 0.0027778
k( 73) = ( 0.2931034 0.5000000 0.0000000), wk = 0.0027778
k( 74) = ( 0.2758621 0.5000000 0.0000000), wk = 0.0027778
k( 75) = ( 0.2586207 0.5000000 0.0000000), wk = 0.0027778
k( 76) = ( 0.2413793 0.5000000 0.0000000), wk = 0.0027778
k( 77) = ( 0.2241379 0.5000000 0.0000000), wk = 0.0027778
k( 78) = ( 0.2068966 0.5000000 -0.0000000), wk = 0.0027778
k( 79) = ( 0.1896552 0.5000000 0.0000000), wk = 0.0027778
k( 80) = ( 0.1724138 0.5000000 0.0000000), wk = 0.0027778
k( 81) = ( 0.1551724 0.5000000 0.0000000), wk = 0.0027778
k( 82) = ( 0.1379310 0.5000000 -0.0000000), wk = 0.0027778
k( 83) = ( 0.1206897 0.5000000 -0.0000000), wk = 0.0027778
k( 84) = ( 0.1034483 0.5000000 -0.0000000), wk = 0.0027778
k( 85) = ( 0.0862069 0.5000000 0.0000000), wk = 0.0027778
k( 86) = ( 0.0689655 0.5000000 0.0000000), wk = 0.0027778
k( 87) = ( 0.0517241 0.5000000 0.0000000), wk = 0.0027778
k( 88) = ( 0.0344828 0.5000000 0.0000000), wk = 0.0027778
k( 89) = ( 0.0172414 0.5000000 0.0000000), wk = 0.0027778
k( 90) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027778
k( 91) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027778
k( 92) = ( 0.0000000 0.4827586 0.0000000), wk = 0.0027778
k( 93) = ( 0.0000000 0.4655172 0.0000000), wk = 0.0027778
k( 94) = ( 0.0000000 0.4482759 0.0000000), wk = 0.0027778
k( 95) = ( 0.0000000 0.4310345 -0.0000000), wk = 0.0027778
k( 96) = ( 0.0000000 0.4137931 0.0000000), wk = 0.0027778
k( 97) = ( 0.0000000 0.3965517 0.0000000), wk = 0.0027778
k( 98) = ( 0.0000000 0.3793103 0.0000000), wk = 0.0027778
k( 99) = ( 0.0000000 0.3620690 0.0000000), wk = 0.0027778
k( 100) = ( 0.0000000 0.3448276 -0.0000000), wk = 0.0027778
k( 101) = ( 0.0000000 0.3275862 0.0000000), wk = 0.0027778
k( 102) = ( 0.0000000 0.3103448 0.0000000), wk = 0.0027778
k( 103) = ( 0.0000000 0.2931034 0.0000000), wk = 0.0027778
k( 104) = ( 0.0000000 0.2758621 -0.0000000), wk = 0.0027778
k( 105) = ( 0.0000000 0.2586207 0.0000000), wk = 0.0027778
k( 106) = ( 0.0000000 0.2413793 0.0000000), wk = 0.0027778
k( 107) = ( 0.0000000 0.2241379 0.0000000), wk = 0.0027778
k( 108) = ( 0.0000000 0.2068966 0.0000000), wk = 0.0027778
k( 109) = ( 0.0000000 0.1896552 0.0000000), wk = 0.0027778
k( 110) = ( 0.0000000 0.1724138 0.0000000), wk = 0.0027778
k( 111) = ( 0.0000000 0.1551724 0.0000000), wk = 0.0027778
k( 112) = ( 0.0000000 0.1379310 0.0000000), wk = 0.0027778
k( 113) = ( 0.0000000 0.1206897 0.0000000), wk = 0.0027778
k( 114) = ( 0.0000000 0.1034483 -0.0000000), wk = 0.0027778
k( 115) = ( 0.0000000 0.0862069 -0.0000000), wk = 0.0027778
k( 116) = ( 0.0000000 0.0689655 -0.0000000), wk = 0.0027778
k( 117) = ( 0.0000000 0.0517241 -0.0000000), wk = 0.0027778
k( 118) = ( 0.0000000 0.0344828 -0.0000000), wk = 0.0027778
k( 119) = ( 0.0000000 0.0172414 -0.0000000), wk = 0.0027778
k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778
k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778
k( 122) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0027778
k( 123) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0027778
k( 124) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0027778
k( 125) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0027778
k( 126) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0027778
k( 127) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0027778
k( 128) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0027778
k( 129) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0027778
k( 130) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0027778
k( 131) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0027778
k( 132) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0027778
k( 133) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0027778
k( 134) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0027778
k( 135) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0027778
k( 136) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0027778
k( 137) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0027778
k( 138) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0027778
k( 139) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0027778
k( 140) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0027778
k( 141) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0027778
k( 142) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0027778
k( 143) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0027778
k( 144) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0027778
k( 145) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0027778
k( 146) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0027778
k( 147) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0027778
k( 148) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0027778
k( 149) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0027778
k( 150) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778
k( 151) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778
k( 152) = ( 0.0172414 0.0000000 0.5000000), wk = 0.0027778
k( 153) = ( 0.0344828 0.0000000 0.5000000), wk = 0.0027778
k( 154) = ( 0.0517241 0.0000000 0.5000000), wk = 0.0027778
k( 155) = ( 0.0689655 0.0000000 0.5000000), wk = 0.0027778
k( 156) = ( 0.0862069 0.0000000 0.5000000), wk = 0.0027778
k( 157) = ( 0.1034483 0.0000000 0.5000000), wk = 0.0027778
k( 158) = ( 0.1206897 0.0000000 0.5000000), wk = 0.0027778
k( 159) = ( 0.1379310 -0.0000000 0.5000000), wk = 0.0027778
k( 160) = ( 0.1551724 0.0000000 0.5000000), wk = 0.0027778
k( 161) = ( 0.1724138 0.0000000 0.5000000), wk = 0.0027778
k( 162) = ( 0.1896552 0.0000000 0.5000000), wk = 0.0027778
k( 163) = ( 0.2068966 0.0000000 0.5000000), wk = 0.0027778
k( 164) = ( 0.2241379 0.0000000 0.5000000), wk = 0.0027778
k( 165) = ( 0.2413793 0.0000000 0.5000000), wk = 0.0027778
k( 166) = ( 0.2586207 -0.0000000 0.5000000), wk = 0.0027778
k( 167) = ( 0.2758621 0.0000000 0.5000000), wk = 0.0027778
k( 168) = ( 0.2931034 0.0000000 0.5000000), wk = 0.0027778
k( 169) = ( 0.3103448 0.0000000 0.5000000), wk = 0.0027778
k( 170) = ( 0.3275862 0.0000000 0.5000000), wk = 0.0027778
k( 171) = ( 0.3448276 -0.0000000 0.5000000), wk = 0.0027778
k( 172) = ( 0.3620690 -0.0000000 0.5000000), wk = 0.0027778
k( 173) = ( 0.3793103 0.0000000 0.5000000), wk = 0.0027778
k( 174) = ( 0.3965517 0.0000000 0.5000000), wk = 0.0027778
k( 175) = ( 0.4137931 0.0000000 0.5000000), wk = 0.0027778
k( 176) = ( 0.4310345 0.0000000 0.5000000), wk = 0.0027778
k( 177) = ( 0.4482759 0.0000000 0.5000000), wk = 0.0027778
k( 178) = ( 0.4655172 0.0000000 0.5000000), wk = 0.0027778
k( 179) = ( 0.4827586 0.0000000 0.5000000), wk = 0.0027778
k( 180) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027778
k( 181) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027778
k( 182) = ( 0.5000000 0.0172414 0.5000000), wk = 0.0027778
k( 183) = ( 0.5000000 0.0344828 0.5000000), wk = 0.0027778
k( 184) = ( 0.5000000 0.0517241 0.5000000), wk = 0.0027778
k( 185) = ( 0.5000000 0.0689655 0.5000000), wk = 0.0027778
k( 186) = ( 0.5000000 0.0862069 0.5000000), wk = 0.0027778
k( 187) = ( 0.5000000 0.1034483 0.5000000), wk = 0.0027778
k( 188) = ( 0.5000000 0.1206897 0.5000000), wk = 0.0027778
k( 189) = ( 0.5000000 0.1379310 0.5000000), wk = 0.0027778
k( 190) = ( 0.5000000 0.1551724 0.5000000), wk = 0.0027778
k( 191) = ( 0.5000000 0.1724138 0.5000000), wk = 0.0027778
k( 192) = ( 0.5000000 0.1896552 0.5000000), wk = 0.0027778
k( 193) = ( 0.5000000 0.2068966 0.5000000), wk = 0.0027778
k( 194) = ( 0.5000000 0.2241379 0.5000000), wk = 0.0027778
k( 195) = ( 0.5000000 0.2413793 0.5000000), wk = 0.0027778
k( 196) = ( 0.5000000 0.2586207 0.5000000), wk = 0.0027778
k( 197) = ( 0.5000000 0.2758621 0.5000000), wk = 0.0027778
k( 198) = ( 0.5000000 0.2931034 0.5000000), wk = 0.0027778
k( 199) = ( 0.5000000 0.3103448 0.5000000), wk = 0.0027778
k( 200) = ( 0.5000000 0.3275862 0.5000000), wk = 0.0027778
k( 201) = ( 0.5000000 0.3448276 0.5000000), wk = 0.0027778
k( 202) = ( 0.5000000 0.3620690 0.5000000), wk = 0.0027778
k( 203) = ( 0.5000000 0.3793103 0.5000000), wk = 0.0027778
k( 204) = ( 0.5000000 0.3965517 0.5000000), wk = 0.0027778
k( 205) = ( 0.5000000 0.4137931 0.5000000), wk = 0.0027778
k( 206) = ( 0.5000000 0.4310345 0.5000000), wk = 0.0027778
k( 207) = ( 0.5000000 0.4482759 0.5000000), wk = 0.0027778
k( 208) = ( 0.5000000 0.4655172 0.5000000), wk = 0.0027778
k( 209) = ( 0.5000000 0.4827586 0.5000000), wk = 0.0027778
k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778
k( 211) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778
k( 212) = ( 0.4827586 0.5000000 0.5000000), wk = 0.0027778
k( 213) = ( 0.4655172 0.5000000 0.5000000), wk = 0.0027778
k( 214) = ( 0.4482759 0.5000000 0.5000000), wk = 0.0027778
k( 215) = ( 0.4310345 0.5000000 0.5000000), wk = 0.0027778
k( 216) = ( 0.4137931 0.5000000 0.5000000), wk = 0.0027778
k( 217) = ( 0.3965517 0.5000000 0.5000000), wk = 0.0027778
k( 218) = ( 0.3793103 0.5000000 0.5000000), wk = 0.0027778
k( 219) = ( 0.3620690 0.5000000 0.5000000), wk = 0.0027778
k( 220) = ( 0.3448276 0.5000000 0.5000000), wk = 0.0027778
k( 221) = ( 0.3275862 0.5000000 0.5000000), wk = 0.0027778
k( 222) = ( 0.3103448 0.5000000 0.5000000), wk = 0.0027778
k( 223) = ( 0.2931034 0.5000000 0.5000000), wk = 0.0027778
k( 224) = ( 0.2758621 0.5000000 0.5000000), wk = 0.0027778
k( 225) = ( 0.2586207 0.5000000 0.5000000), wk = 0.0027778
k( 226) = ( 0.2413793 0.5000000 0.5000000), wk = 0.0027778
k( 227) = ( 0.2241379 0.5000000 0.5000000), wk = 0.0027778
k( 228) = ( 0.2068966 0.5000000 0.5000000), wk = 0.0027778
k( 229) = ( 0.1896552 0.5000000 0.5000000), wk = 0.0027778
k( 230) = ( 0.1724138 0.5000000 0.5000000), wk = 0.0027778
k( 231) = ( 0.1551724 0.5000000 0.5000000), wk = 0.0027778
k( 232) = ( 0.1379310 0.5000000 0.5000000), wk = 0.0027778
k( 233) = ( 0.1206897 0.5000000 0.5000000), wk = 0.0027778
k( 234) = ( 0.1034483 0.5000000 0.5000000), wk = 0.0027778
k( 235) = ( 0.0862069 0.5000000 0.5000000), wk = 0.0027778
k( 236) = ( 0.0689655 0.5000000 0.5000000), wk = 0.0027778
k( 237) = ( 0.0517241 0.5000000 0.5000000), wk = 0.0027778
k( 238) = ( 0.0344828 0.5000000 0.5000000), wk = 0.0027778
k( 239) = ( 0.0172414 0.5000000 0.5000000), wk = 0.0027778
k( 240) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027778
k( 241) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027778
k( 242) = ( 0.0000000 0.4827586 0.5000000), wk = 0.0027778
k( 243) = ( 0.0000000 0.4655172 0.5000000), wk = 0.0027778
k( 244) = ( 0.0000000 0.4482759 0.5000000), wk = 0.0027778
k( 245) = ( 0.0000000 0.4310345 0.5000000), wk = 0.0027778
k( 246) = ( 0.0000000 0.4137931 0.5000000), wk = 0.0027778
k( 247) = ( 0.0000000 0.3965517 0.5000000), wk = 0.0027778
k( 248) = ( 0.0000000 0.3793103 0.5000000), wk = 0.0027778
k( 249) = ( 0.0000000 0.3620690 0.5000000), wk = 0.0027778
k( 250) = ( 0.0000000 0.3448276 0.5000000), wk = 0.0027778
k( 251) = ( 0.0000000 0.3275862 0.5000000), wk = 0.0027778
k( 252) = ( 0.0000000 0.3103448 0.5000000), wk = 0.0027778
k( 253) = ( 0.0000000 0.2931034 0.5000000), wk = 0.0027778
k( 254) = ( 0.0000000 0.2758621 0.5000000), wk = 0.0027778
k( 255) = ( 0.0000000 0.2586207 0.5000000), wk = 0.0027778
k( 256) = ( 0.0000000 0.2413793 0.5000000), wk = 0.0027778
k( 257) = ( 0.0000000 0.2241379 0.5000000), wk = 0.0027778
k( 258) = ( 0.0000000 0.2068966 0.5000000), wk = 0.0027778
k( 259) = ( 0.0000000 0.1896552 0.5000000), wk = 0.0027778
k( 260) = ( 0.0000000 0.1724138 0.5000000), wk = 0.0027778
k( 261) = ( 0.0000000 0.1551724 0.5000000), wk = 0.0027778
k( 262) = ( 0.0000000 0.1379310 0.5000000), wk = 0.0027778
k( 263) = ( 0.0000000 0.1206897 0.5000000), wk = 0.0027778
k( 264) = ( 0.0000000 0.1034483 0.5000000), wk = 0.0027778
k( 265) = ( 0.0000000 0.0862069 0.5000000), wk = 0.0027778
k( 266) = ( 0.0000000 0.0689655 0.5000000), wk = 0.0027778
k( 267) = ( 0.0000000 0.0517241 0.5000000), wk = 0.0027778
k( 268) = ( 0.0000000 0.0344828 0.5000000), wk = 0.0027778
k( 269) = ( 0.0000000 0.0172414 0.5000000), wk = 0.0027778
k( 270) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778
k( 271) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027778
k( 272) = ( 0.0000000 0.5000000 0.0172414), wk = 0.0027778
k( 273) = ( 0.0000000 0.5000000 0.0344828), wk = 0.0027778
k( 274) = ( 0.0000000 0.5000000 0.0517241), wk = 0.0027778
k( 275) = ( 0.0000000 0.5000000 0.0689655), wk = 0.0027778
k( 276) = ( 0.0000000 0.5000000 0.0862069), wk = 0.0027778
k( 277) = ( 0.0000000 0.5000000 0.1034483), wk = 0.0027778
k( 278) = ( 0.0000000 0.5000000 0.1206897), wk = 0.0027778
k( 279) = ( 0.0000000 0.5000000 0.1379310), wk = 0.0027778
k( 280) = ( 0.0000000 0.5000000 0.1551724), wk = 0.0027778
k( 281) = ( 0.0000000 0.5000000 0.1724138), wk = 0.0027778
k( 282) = ( 0.0000000 0.5000000 0.1896552), wk = 0.0027778
k( 283) = ( 0.0000000 0.5000000 0.2068966), wk = 0.0027778
k( 284) = ( 0.0000000 0.5000000 0.2241379), wk = 0.0027778
k( 285) = ( 0.0000000 0.5000000 0.2413793), wk = 0.0027778
k( 286) = ( 0.0000000 0.5000000 0.2586207), wk = 0.0027778
k( 287) = ( 0.0000000 0.5000000 0.2758621), wk = 0.0027778
k( 288) = ( 0.0000000 0.5000000 0.2931034), wk = 0.0027778
k( 289) = ( 0.0000000 0.5000000 0.3103448), wk = 0.0027778
k( 290) = ( 0.0000000 0.5000000 0.3275862), wk = 0.0027778
k( 291) = ( 0.0000000 0.5000000 0.3448276), wk = 0.0027778
k( 292) = ( 0.0000000 0.5000000 0.3620690), wk = 0.0027778
k( 293) = ( 0.0000000 0.5000000 0.3793103), wk = 0.0027778
k( 294) = ( 0.0000000 0.5000000 0.3965517), wk = 0.0027778
k( 295) = ( 0.0000000 0.5000000 0.4137931), wk = 0.0027778
k( 296) = ( 0.0000000 0.5000000 0.4310345), wk = 0.0027778
k( 297) = ( 0.0000000 0.5000000 0.4482759), wk = 0.0027778
k( 298) = ( 0.0000000 0.5000000 0.4655172), wk = 0.0027778
k( 299) = ( 0.0000000 0.5000000 0.4827586), wk = 0.0027778
k( 300) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027778
k( 301) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027778
k( 302) = ( 0.5000000 0.0000000 0.4827586), wk = 0.0027778
k( 303) = ( 0.5000000 0.0000000 0.4655172), wk = 0.0027778
k( 304) = ( 0.5000000 0.0000000 0.4482759), wk = 0.0027778
k( 305) = ( 0.5000000 0.0000000 0.4310345), wk = 0.0027778
k( 306) = ( 0.5000000 0.0000000 0.4137931), wk = 0.0027778
k( 307) = ( 0.5000000 0.0000000 0.3965517), wk = 0.0027778
k( 308) = ( 0.5000000 0.0000000 0.3793103), wk = 0.0027778
k( 309) = ( 0.5000000 0.0000000 0.3620690), wk = 0.0027778
k( 310) = ( 0.5000000 0.0000000 0.3448276), wk = 0.0027778
k( 311) = ( 0.5000000 0.0000000 0.3275862), wk = 0.0027778
k( 312) = ( 0.5000000 0.0000000 0.3103448), wk = 0.0027778
k( 313) = ( 0.5000000 0.0000000 0.2931034), wk = 0.0027778
k( 314) = ( 0.5000000 0.0000000 0.2758621), wk = 0.0027778
k( 315) = ( 0.5000000 0.0000000 0.2586207), wk = 0.0027778
k( 316) = ( 0.5000000 0.0000000 0.2413793), wk = 0.0027778
k( 317) = ( 0.5000000 0.0000000 0.2241379), wk = 0.0027778
k( 318) = ( 0.5000000 0.0000000 0.2068966), wk = 0.0027778
k( 319) = ( 0.5000000 0.0000000 0.1896552), wk = 0.0027778
k( 320) = ( 0.5000000 0.0000000 0.1724138), wk = 0.0027778
k( 321) = ( 0.5000000 0.0000000 0.1551724), wk = 0.0027778
k( 322) = ( 0.5000000 0.0000000 0.1379310), wk = 0.0027778
k( 323) = ( 0.5000000 0.0000000 0.1206897), wk = 0.0027778
k( 324) = ( 0.5000000 0.0000000 0.1034483), wk = 0.0027778
k( 325) = ( 0.5000000 0.0000000 0.0862069), wk = 0.0027778
k( 326) = ( 0.5000000 0.0000000 0.0689655), wk = 0.0027778
k( 327) = ( 0.5000000 0.0000000 0.0517241), wk = 0.0027778
k( 328) = ( 0.5000000 0.0000000 0.0344828), wk = 0.0027778
k( 329) = ( 0.5000000 0.0000000 0.0172414), wk = 0.0027778
k( 330) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027778
k( 331) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027778
k( 332) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0027778
k( 333) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0027778
k( 334) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0027778
k( 335) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0027778
k( 336) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0027778
k( 337) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0027778
k( 338) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0027778
k( 339) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0027778
k( 340) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0027778
k( 341) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0027778
k( 342) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0027778
k( 343) = ( 0.5000000 0.5000000 0.2068966), wk = 0.0027778
k( 344) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0027778
k( 345) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0027778
k( 346) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0027778
k( 347) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0027778
k( 348) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0027778
k( 349) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0027778
k( 350) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0027778
k( 351) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0027778
k( 352) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0027778
k( 353) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0027778
k( 354) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0027778
k( 355) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0027778
k( 356) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0027778
k( 357) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0027778
k( 358) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0027778
k( 359) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0027778
k( 360) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778
Dense grid: 70703 G-vectors FFT dimensions: ( 54, 54, 54)
Smooth grid: 47937 G-vectors FFT dimensions: ( 45, 45, 45)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.29 Mb ( 256, 74)
NL pseudopotentials 0.32 Mb ( 128, 164)
Each V/rho on FFT grid 0.09 Mb ( 5832)
Each G-vector array 0.01 Mb ( 1473)
G-vector shells 0.01 Mb ( 727)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 1.16 Mb ( 256, 296)
Each subspace H/S matrix 1.34 Mb ( 296, 296)
Each <psi_i|beta_j> matrix 0.37 Mb ( 164, 2, 74)
Check: negative/imaginary core charge= -0.000002 0.000000
The potential is recalculated from file :
./FeCuSe2.save/charge-density.dat
Starting wfc are 104 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 44.6 secs
Computing kpt #: 2
total cpu time spent up to now is 47.8 secs
Computing kpt #: 3
total cpu time spent up to now is 51.2 secs
Computing kpt #: 4
total cpu time spent up to now is 54.4 secs
Computing kpt #: 5
total cpu time spent up to now is 57.9 secs
Computing kpt #: 6
total cpu time spent up to now is 61.1 secs
Computing kpt #: 7
total cpu time spent up to now is 64.5 secs
Computing kpt #: 8
total cpu time spent up to now is 67.9 secs
Computing kpt #: 9
total cpu time spent up to now is 71.3 secs
Computing kpt #: 10
total cpu time spent up to now is 74.7 secs
Computing kpt #: 11
total cpu time spent up to now is 78.1 secs
Computing kpt #: 12
total cpu time spent up to now is 81.7 secs
Computing kpt #: 13
total cpu time spent up to now is 85.2 secs
Computing kpt #: 14
total cpu time spent up to now is 89.2 secs
Computing kpt #: 15
total cpu time spent up to now is 94.6 secs
Computing kpt #: 16
total cpu time spent up to now is 98.4 secs
Computing kpt #: 17
total cpu time spent up to now is 102.3 secs
Computing kpt #: 18
total cpu time spent up to now is 106.0 secs
Computing kpt #: 19
total cpu time spent up to now is 109.8 secs
Computing kpt #: 20
total cpu time spent up to now is 113.2 secs
Computing kpt #: 21
total cpu time spent up to now is 116.5 secs
Computing kpt #: 22
total cpu time spent up to now is 119.9 secs
Computing kpt #: 23
total cpu time spent up to now is 123.3 secs
Computing kpt #: 24
total cpu time spent up to now is 126.9 secs
Computing kpt #: 25
total cpu time spent up to now is 130.5 secs
Computing kpt #: 26
total cpu time spent up to now is 134.4 secs
Computing kpt #: 27
total cpu time spent up to now is 138.3 secs
Computing kpt #: 28
total cpu time spent up to now is 142.4 secs
Computing kpt #: 29
total cpu time spent up to now is 146.7 secs
Computing kpt #: 30
total cpu time spent up to now is 150.9 secs
Computing kpt #: 31
total cpu time spent up to now is 154.6 secs
Computing kpt #: 32
total cpu time spent up to now is 158.5 secs
Computing kpt #: 33
total cpu time spent up to now is 162.3 secs
Computing kpt #: 34
total cpu time spent up to now is 165.9 secs
Computing kpt #: 35
total cpu time spent up to now is 169.6 secs
Computing kpt #: 36
total cpu time spent up to now is 173.3 secs
Computing kpt #: 37
total cpu time spent up to now is 176.8 secs
Computing kpt #: 38
total cpu time spent up to now is 180.5 secs
Computing kpt #: 39
total cpu time spent up to now is 184.1 secs
Computing kpt #: 40
total cpu time spent up to now is 187.8 secs
Computing kpt #: 41
total cpu time spent up to now is 191.6 secs
Computing kpt #: 42
total cpu time spent up to now is 195.2 secs
Computing kpt #: 43
total cpu time spent up to now is 198.6 secs
Computing kpt #: 44
total cpu time spent up to now is 202.5 secs
Computing kpt #: 45
total cpu time spent up to now is 206.4 secs
Computing kpt #: 46
total cpu time spent up to now is 210.4 secs
Computing kpt #: 47
total cpu time spent up to now is 214.7 secs
Computing kpt #: 48
total cpu time spent up to now is 219.0 secs
Computing kpt #: 49
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 226.9 secs
Computing kpt #: 50
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 235.1 secs
Computing kpt #: 51
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 242.9 secs
Computing kpt #: 52
total cpu time spent up to now is 248.2 secs
Computing kpt #: 53
total cpu time spent up to now is 253.8 secs
Computing kpt #: 54
total cpu time spent up to now is 259.1 secs
Computing kpt #: 55
total cpu time spent up to now is 264.6 secs
Computing kpt #: 56
total cpu time spent up to now is 269.9 secs
Computing kpt #: 57
total cpu time spent up to now is 275.6 secs
Computing kpt #: 58
total cpu time spent up to now is 281.9 secs
Computing kpt #: 59
total cpu time spent up to now is 288.2 secs
Computing kpt #: 60
total cpu time spent up to now is 294.5 secs
Computing kpt #: 61
total cpu time spent up to now is 299.5 secs
Computing kpt #: 62
total cpu time spent up to now is 305.8 secs
Computing kpt #: 63
total cpu time spent up to now is 311.1 secs
Computing kpt #: 64
total cpu time spent up to now is 316.4 secs
Computing kpt #: 65
total cpu time spent up to now is 321.7 secs
Computing kpt #: 66
total cpu time spent up to now is 327.5 secs
Computing kpt #: 67
total cpu time spent up to now is 334.1 secs
Computing kpt #: 68
total cpu time spent up to now is 339.6 secs
Computing kpt #: 69
total cpu time spent up to now is 345.4 secs
Computing kpt #: 70
total cpu time spent up to now is 351.0 secs
Computing kpt #: 71
total cpu time spent up to now is 356.4 secs
Computing kpt #: 72
total cpu time spent up to now is 361.0 secs
Computing kpt #: 73
total cpu time spent up to now is 365.4 secs
Computing kpt #: 74
total cpu time spent up to now is 369.9 secs
Computing kpt #: 75
total cpu time spent up to now is 374.2 secs
Computing kpt #: 76
total cpu time spent up to now is 378.1 secs
Computing kpt #: 77
total cpu time spent up to now is 381.8 secs
Computing kpt #: 78
total cpu time spent up to now is 385.8 secs
Computing kpt #: 79
total cpu time spent up to now is 390.7 secs
Computing kpt #: 80
total cpu time spent up to now is 395.4 secs
Computing kpt #: 81
total cpu time spent up to now is 399.9 secs
Computing kpt #: 82
total cpu time spent up to now is 404.5 secs
Computing kpt #: 83
total cpu time spent up to now is 409.3 secs
Computing kpt #: 84
total cpu time spent up to now is 413.3 secs
Computing kpt #: 85
total cpu time spent up to now is 417.5 secs
Computing kpt #: 86
total cpu time spent up to now is 421.6 secs
Computing kpt #: 87
total cpu time spent up to now is 425.6 secs
Computing kpt #: 88
total cpu time spent up to now is 429.5 secs
Computing kpt #: 89
total cpu time spent up to now is 433.4 secs
Computing kpt #: 90
total cpu time spent up to now is 437.2 secs
Computing kpt #: 91
total cpu time spent up to now is 441.0 secs
Computing kpt #: 92
total cpu time spent up to now is 444.8 secs
Computing kpt #: 93
total cpu time spent up to now is 448.6 secs
Computing kpt #: 94
total cpu time spent up to now is 452.5 secs
Computing kpt #: 95
total cpu time spent up to now is 456.3 secs
Computing kpt #: 96
total cpu time spent up to now is 460.1 secs
Computing kpt #: 97
total cpu time spent up to now is 464.4 secs
Computing kpt #: 98
total cpu time spent up to now is 468.3 secs
Computing kpt #: 99
total cpu time spent up to now is 472.1 secs
Computing kpt #: 100
total cpu time spent up to now is 475.9 secs
Computing kpt #: 101
total cpu time spent up to now is 480.3 secs
Computing kpt #: 102
total cpu time spent up to now is 484.5 secs
Computing kpt #: 103
total cpu time spent up to now is 488.6 secs
Computing kpt #: 104
total cpu time spent up to now is 492.7 secs
Computing kpt #: 105
total cpu time spent up to now is 496.7 secs
Computing kpt #: 106
total cpu time spent up to now is 500.6 secs
Computing kpt #: 107
total cpu time spent up to now is 504.2 secs
Computing kpt #: 108
total cpu time spent up to now is 507.9 secs
Computing kpt #: 109
total cpu time spent up to now is 511.5 secs
Computing kpt #: 110
total cpu time spent up to now is 514.9 secs
Computing kpt #: 111
total cpu time spent up to now is 518.5 secs
Computing kpt #: 112
total cpu time spent up to now is 521.8 secs
Computing kpt #: 113
total cpu time spent up to now is 525.3 secs
Computing kpt #: 114
total cpu time spent up to now is 528.6 secs
Computing kpt #: 115
total cpu time spent up to now is 532.0 secs
Computing kpt #: 116
total cpu time spent up to now is 535.2 secs
Computing kpt #: 117
total cpu time spent up to now is 538.5 secs
Computing kpt #: 118
total cpu time spent up to now is 541.6 secs
Computing kpt #: 119
total cpu time spent up to now is 544.6 secs
Computing kpt #: 120
total cpu time spent up to now is 547.7 secs
Computing kpt #: 121
total cpu time spent up to now is 550.7 secs
Computing kpt #: 122
total cpu time spent up to now is 553.8 secs
Computing kpt #: 123
total cpu time spent up to now is 557.2 secs
Computing kpt #: 124
total cpu time spent up to now is 560.4 secs
Computing kpt #: 125
total cpu time spent up to now is 563.7 secs
Computing kpt #: 126
total cpu time spent up to now is 567.0 secs
Computing kpt #: 127
total cpu time spent up to now is 570.4 secs
Computing kpt #: 128
total cpu time spent up to now is 573.8 secs
Computing kpt #: 129
total cpu time spent up to now is 577.4 secs
Computing kpt #: 130
total cpu time spent up to now is 580.9 secs
Computing kpt #: 131
total cpu time spent up to now is 584.4 secs
Computing kpt #: 132
total cpu time spent up to now is 587.8 secs
Computing kpt #: 133
total cpu time spent up to now is 591.4 secs
Computing kpt #: 134
total cpu time spent up to now is 595.1 secs
Computing kpt #: 135
total cpu time spent up to now is 599.1 secs
Computing kpt #: 136
total cpu time spent up to now is 603.3 secs
Computing kpt #: 137
total cpu time spent up to now is 607.4 secs
Computing kpt #: 138
total cpu time spent up to now is 611.9 secs
Computing kpt #: 139
total cpu time spent up to now is 616.7 secs
Computing kpt #: 140
total cpu time spent up to now is 621.8 secs
Computing kpt #: 141
total cpu time spent up to now is 627.4 secs
Computing kpt #: 142
total cpu time spent up to now is 632.6 secs
Computing kpt #: 143
total cpu time spent up to now is 639.0 secs
Computing kpt #: 144
total cpu time spent up to now is 643.1 secs
Computing kpt #: 145
total cpu time spent up to now is 647.1 secs
Computing kpt #: 146
total cpu time spent up to now is 651.1 secs
Computing kpt #: 147
total cpu time spent up to now is 655.1 secs
Computing kpt #: 148
total cpu time spent up to now is 659.0 secs
Computing kpt #: 149
total cpu time spent up to now is 663.1 secs
Computing kpt #: 150
total cpu time spent up to now is 667.1 secs
Computing kpt #: 151
total cpu time spent up to now is 670.9 secs
Computing kpt #: 152
total cpu time spent up to now is 675.0 secs
Computing kpt #: 153
total cpu time spent up to now is 679.1 secs
Computing kpt #: 154
total cpu time spent up to now is 683.1 secs
Computing kpt #: 155
total cpu time spent up to now is 687.2 secs
Computing kpt #: 156
total cpu time spent up to now is 692.1 secs
Computing kpt #: 157
total cpu time spent up to now is 696.3 secs
Computing kpt #: 158
total cpu time spent up to now is 700.8 secs
Computing kpt #: 159
total cpu time spent up to now is 705.3 secs
Computing kpt #: 160
total cpu time spent up to now is 709.8 secs
Computing kpt #: 161
total cpu time spent up to now is 714.3 secs
Computing kpt #: 162
total cpu time spent up to now is 719.2 secs
Computing kpt #: 163
total cpu time spent up to now is 724.8 secs
Computing kpt #: 164
total cpu time spent up to now is 728.9 secs
Computing kpt #: 165
total cpu time spent up to now is 732.7 secs
Computing kpt #: 166
total cpu time spent up to now is 736.6 secs
Computing kpt #: 167
total cpu time spent up to now is 740.2 secs
Computing kpt #: 168
total cpu time spent up to now is 744.3 secs
Computing kpt #: 169
total cpu time spent up to now is 748.4 secs
Computing kpt #: 170
total cpu time spent up to now is 752.8 secs
Computing kpt #: 171
total cpu time spent up to now is 758.1 secs
Computing kpt #: 172
total cpu time spent up to now is 763.4 secs
Computing kpt #: 173
total cpu time spent up to now is 769.8 secs
Computing kpt #: 174
total cpu time spent up to now is 776.5 secs
Computing kpt #: 175
total cpu time spent up to now is 783.3 secs
Computing kpt #: 176
total cpu time spent up to now is 790.1 secs
Computing kpt #: 177
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 797.9 secs
Computing kpt #: 178
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 805.9 secs
Computing kpt #: 179
total cpu time spent up to now is 812.8 secs
Computing kpt #: 180
total cpu time spent up to now is 819.9 secs
Computing kpt #: 181
total cpu time spent up to now is 826.9 secs
Computing kpt #: 182
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 834.9 secs
Computing kpt #: 183
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 843.0 secs
Computing kpt #: 184
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 851.1 secs
Computing kpt #: 185
total cpu time spent up to now is 857.5 secs
Computing kpt #: 186
total cpu time spent up to now is 863.9 secs
Computing kpt #: 187
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 872.0 secs
Computing kpt #: 188
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 880.3 secs
Computing kpt #: 189
total cpu time spent up to now is 884.7 secs
Computing kpt #: 190
total cpu time spent up to now is 889.2 secs
Computing kpt #: 191
total cpu time spent up to now is 893.4 secs
Computing kpt #: 192
total cpu time spent up to now is 897.5 secs
Computing kpt #: 193
total cpu time spent up to now is 901.6 secs
Computing kpt #: 194
total cpu time spent up to now is 905.8 secs
Computing kpt #: 195
total cpu time spent up to now is 909.9 secs
Computing kpt #: 196
total cpu time spent up to now is 913.9 secs
Computing kpt #: 197
total cpu time spent up to now is 917.9 secs
Computing kpt #: 198
total cpu time spent up to now is 921.8 secs
Computing kpt #: 199
total cpu time spent up to now is 925.7 secs
Computing kpt #: 200
total cpu time spent up to now is 929.8 secs
Computing kpt #: 201
total cpu time spent up to now is 933.5 secs
Computing kpt #: 202
total cpu time spent up to now is 937.2 secs
Computing kpt #: 203
total cpu time spent up to now is 941.0 secs
Computing kpt #: 204
total cpu time spent up to now is 944.8 secs
Computing kpt #: 205
total cpu time spent up to now is 948.8 secs
Computing kpt #: 206
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 956.7 secs
Computing kpt #: 207
total cpu time spent up to now is 960.7 secs
Computing kpt #: 208
total cpu time spent up to now is 965.0 secs
Computing kpt #: 209
total cpu time spent up to now is 968.8 secs
Computing kpt #: 210
total cpu time spent up to now is 972.6 secs
Computing kpt #: 211
total cpu time spent up to now is 976.4 secs
Computing kpt #: 212
total cpu time spent up to now is 980.2 secs
Computing kpt #: 213
total cpu time spent up to now is 984.0 secs
Computing kpt #: 214
total cpu time spent up to now is 987.6 secs
Computing kpt #: 215
total cpu time spent up to now is 992.6 secs
Computing kpt #: 216
total cpu time spent up to now is 997.1 secs
Computing kpt #: 217
total cpu time spent up to now is 1000.9 secs
Computing kpt #: 218
total cpu time spent up to now is 1004.7 secs
Computing kpt #: 219
total cpu time spent up to now is 1008.4 secs
Computing kpt #: 220
total cpu time spent up to now is 1012.0 secs
Computing kpt #: 221
total cpu time spent up to now is 1015.5 secs
Computing kpt #: 222
total cpu time spent up to now is 1019.2 secs
Computing kpt #: 223
total cpu time spent up to now is 1022.7 secs
Computing kpt #: 224
total cpu time spent up to now is 1026.3 secs
Computing kpt #: 225
total cpu time spent up to now is 1029.9 secs
Computing kpt #: 226
total cpu time spent up to now is 1033.4 secs
Computing kpt #: 227
total cpu time spent up to now is 1037.0 secs
Computing kpt #: 228
total cpu time spent up to now is 1040.7 secs
Computing kpt #: 229
total cpu time spent up to now is 1044.4 secs
Computing kpt #: 230
total cpu time spent up to now is 1048.2 secs
Computing kpt #: 231
total cpu time spent up to now is 1052.3 secs
Computing kpt #: 232
total cpu time spent up to now is 1056.3 secs
Computing kpt #: 233
total cpu time spent up to now is 1060.3 secs
Computing kpt #: 234
total cpu time spent up to now is 1064.6 secs
Computing kpt #: 235
total cpu time spent up to now is 1068.8 secs
Computing kpt #: 236
total cpu time spent up to now is 1073.0 secs
Computing kpt #: 237
total cpu time spent up to now is 1077.3 secs
Computing kpt #: 238
total cpu time spent up to now is 1081.5 secs
Computing kpt #: 239
total cpu time spent up to now is 1085.4 secs
Computing kpt #: 240
total cpu time spent up to now is 1089.6 secs
Computing kpt #: 241
total cpu time spent up to now is 1093.8 secs
Computing kpt #: 242
total cpu time spent up to now is 1098.0 secs
Computing kpt #: 243
total cpu time spent up to now is 1102.2 secs
Computing kpt #: 244
total cpu time spent up to now is 1106.5 secs
Computing kpt #: 245
total cpu time spent up to now is 1110.8 secs
Computing kpt #: 246
total cpu time spent up to now is 1115.1 secs
Computing kpt #: 247
total cpu time spent up to now is 1119.4 secs
Computing kpt #: 248
total cpu time spent up to now is 1123.7 secs
Computing kpt #: 249
total cpu time spent up to now is 1128.1 secs
Computing kpt #: 250
total cpu time spent up to now is 1132.6 secs
Computing kpt #: 251
total cpu time spent up to now is 1137.0 secs
Computing kpt #: 252
total cpu time spent up to now is 1141.1 secs
Computing kpt #: 253
total cpu time spent up to now is 1145.1 secs
Computing kpt #: 254
total cpu time spent up to now is 1149.1 secs
Computing kpt #: 255
total cpu time spent up to now is 1153.1 secs
Computing kpt #: 256
total cpu time spent up to now is 1156.9 secs
Computing kpt #: 257
total cpu time spent up to now is 1161.0 secs
Computing kpt #: 258
total cpu time spent up to now is 1164.9 secs
Computing kpt #: 259
total cpu time spent up to now is 1169.6 secs
Computing kpt #: 260
total cpu time spent up to now is 1174.1 secs
Computing kpt #: 261
total cpu time spent up to now is 1178.5 secs
Computing kpt #: 262
total cpu time spent up to now is 1183.0 secs
Computing kpt #: 263
total cpu time spent up to now is 1187.0 secs
Computing kpt #: 264
total cpu time spent up to now is 1191.1 secs
Computing kpt #: 265
total cpu time spent up to now is 1195.1 secs
Computing kpt #: 266
total cpu time spent up to now is 1199.1 secs
Computing kpt #: 267
total cpu time spent up to now is 1203.2 secs
Computing kpt #: 268
total cpu time spent up to now is 1207.2 secs
Computing kpt #: 269
total cpu time spent up to now is 1211.1 secs
Computing kpt #: 270
total cpu time spent up to now is 1215.0 secs
Computing kpt #: 271
total cpu time spent up to now is 1218.8 secs
Computing kpt #: 272
total cpu time spent up to now is 1222.7 secs
Computing kpt #: 273
total cpu time spent up to now is 1226.8 secs
Computing kpt #: 274
total cpu time spent up to now is 1230.7 secs
Computing kpt #: 275
total cpu time spent up to now is 1234.9 secs
Computing kpt #: 276
total cpu time spent up to now is 1239.0 secs
Computing kpt #: 277
total cpu time spent up to now is 1243.1 secs
Computing kpt #: 278
total cpu time spent up to now is 1247.3 secs
Computing kpt #: 279
total cpu time spent up to now is 1251.7 secs
Computing kpt #: 280
total cpu time spent up to now is 1256.2 secs
Computing kpt #: 281
total cpu time spent up to now is 1260.7 secs
Computing kpt #: 282
total cpu time spent up to now is 1265.1 secs
Computing kpt #: 283
total cpu time spent up to now is 1269.6 secs
Computing kpt #: 284
total cpu time spent up to now is 1273.7 secs
Computing kpt #: 285
total cpu time spent up to now is 1277.7 secs
Computing kpt #: 286
total cpu time spent up to now is 1281.6 secs
Computing kpt #: 287
total cpu time spent up to now is 1285.6 secs
Computing kpt #: 288
total cpu time spent up to now is 1290.4 secs
Computing kpt #: 289
total cpu time spent up to now is 1295.1 secs
Computing kpt #: 290
total cpu time spent up to now is 1299.6 secs
Computing kpt #: 291
total cpu time spent up to now is 1304.3 secs
Computing kpt #: 292
total cpu time spent up to now is 1308.7 secs
Computing kpt #: 293
total cpu time spent up to now is 1313.0 secs
Computing kpt #: 294
total cpu time spent up to now is 1317.3 secs
Computing kpt #: 295
total cpu time spent up to now is 1321.6 secs
Computing kpt #: 296
total cpu time spent up to now is 1325.6 secs
Computing kpt #: 297
total cpu time spent up to now is 1329.8 secs
Computing kpt #: 298
total cpu time spent up to now is 1333.9 secs
Computing kpt #: 299
total cpu time spent up to now is 1338.2 secs
Computing kpt #: 300
total cpu time spent up to now is 1342.4 secs
Computing kpt #: 301
total cpu time spent up to now is 1348.7 secs
Computing kpt #: 302
total cpu time spent up to now is 1356.0 secs
Computing kpt #: 303
total cpu time spent up to now is 1363.4 secs
Computing kpt #: 304
total cpu time spent up to now is 1369.7 secs
Computing kpt #: 305
total cpu time spent up to now is 1376.1 secs
Computing kpt #: 306
total cpu time spent up to now is 1382.4 secs
Computing kpt #: 307
total cpu time spent up to now is 1389.2 secs
Computing kpt #: 308
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1397.2 secs
Computing kpt #: 309
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1405.2 secs
Computing kpt #: 310
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1413.2 secs
Computing kpt #: 311
total cpu time spent up to now is 1418.4 secs
Computing kpt #: 312
total cpu time spent up to now is 1422.7 secs
Computing kpt #: 313
total cpu time spent up to now is 1427.1 secs
Computing kpt #: 314
total cpu time spent up to now is 1430.9 secs
Computing kpt #: 315
total cpu time spent up to now is 1434.7 secs
Computing kpt #: 316
total cpu time spent up to now is 1438.4 secs
Computing kpt #: 317
total cpu time spent up to now is 1442.1 secs
Computing kpt #: 318
total cpu time spent up to now is 1445.7 secs
Computing kpt #: 319
total cpu time spent up to now is 1449.2 secs
Computing kpt #: 320
total cpu time spent up to now is 1452.9 secs
Computing kpt #: 321
total cpu time spent up to now is 1456.7 secs
Computing kpt #: 322
total cpu time spent up to now is 1460.2 secs
Computing kpt #: 323
total cpu time spent up to now is 1464.0 secs
Computing kpt #: 324
total cpu time spent up to now is 1467.7 secs
Computing kpt #: 325
total cpu time spent up to now is 1471.3 secs
Computing kpt #: 326
total cpu time spent up to now is 1475.1 secs
Computing kpt #: 327
total cpu time spent up to now is 1479.1 secs
Computing kpt #: 328
total cpu time spent up to now is 1482.9 secs
Computing kpt #: 329
total cpu time spent up to now is 1486.8 secs
Computing kpt #: 330
total cpu time spent up to now is 1490.8 secs
Computing kpt #: 331
total cpu time spent up to now is 1496.3 secs
Computing kpt #: 332
total cpu time spent up to now is 1501.6 secs
Computing kpt #: 333
total cpu time spent up to now is 1508.0 secs
Computing kpt #: 334
total cpu time spent up to now is 1514.2 secs
Computing kpt #: 335
total cpu time spent up to now is 1520.5 secs
Computing kpt #: 336
total cpu time spent up to now is 1526.0 secs
Computing kpt #: 337
total cpu time spent up to now is 1530.0 secs
Computing kpt #: 338
total cpu time spent up to now is 1534.5 secs
Computing kpt #: 339
total cpu time spent up to now is 1538.6 secs
Computing kpt #: 340
total cpu time spent up to now is 1542.6 secs
Computing kpt #: 341
total cpu time spent up to now is 1546.7 secs
Computing kpt #: 342
total cpu time spent up to now is 1550.8 secs
Computing kpt #: 343
total cpu time spent up to now is 1554.9 secs
Computing kpt #: 344
total cpu time spent up to now is 1559.1 secs
Computing kpt #: 345
total cpu time spent up to now is 1563.0 secs
Computing kpt #: 346
total cpu time spent up to now is 1567.0 secs
Computing kpt #: 347
total cpu time spent up to now is 1570.9 secs
Computing kpt #: 348
total cpu time spent up to now is 1574.8 secs
Computing kpt #: 349
total cpu time spent up to now is 1578.6 secs
Computing kpt #: 350
total cpu time spent up to now is 1582.3 secs
Computing kpt #: 351
total cpu time spent up to now is 1586.1 secs
Computing kpt #: 352
total cpu time spent up to now is 1592.0 secs
Computing kpt #: 353
total cpu time spent up to now is 1596.2 secs
Computing kpt #: 354
total cpu time spent up to now is 1599.9 secs
Computing kpt #: 355
total cpu time spent up to now is 1603.9 secs
Computing kpt #: 356
total cpu time spent up to now is 1607.9 secs
Computing kpt #: 357
total cpu time spent up to now is 1611.9 secs
Computing kpt #: 358
total cpu time spent up to now is 1615.7 secs
Computing kpt #: 359
total cpu time spent up to now is 1619.7 secs
Computing kpt #: 360
total cpu time spent up to now is 1623.4 secs
ethr = 1.61E-11, avg # of iterations = 44.7
total cpu time spent up to now is 1623.6 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev):
-7.6971 -7.6971 -6.5735 -6.5735 -6.5728 -6.5728 -6.5703 -6.5703
0.6349 0.6349 0.8284 0.8284 1.0141 1.0141 2.3194 2.3194
2.3563 2.3563 2.3725 2.3725 2.8561 2.8561 2.9446 2.9446
3.0682 3.0682 3.1335 3.1335 3.1886 3.1886 3.2833 3.2833
3.3185 3.3185 3.3387 3.3387 4.0225 4.0225 4.1570 4.1570
4.3492 4.3492 4.4245 4.4245 4.5004 4.5004 4.7485 4.7485
4.8873 4.8873 5.0037 5.0037 5.7158 5.7158 5.7798 5.7798
5.8227 5.8227 5.8809 5.8809 6.0912 6.0912 6.1448 6.1448
6.2435 6.2435 7.7129 7.7129 8.0931 8.0931 8.1911 8.1911
8.9172 8.9172
k = 0.0172-0.0000-0.0000 ( 6031 PWs) bands (ev):
-7.6964 -7.6964 -6.5739 -6.5739 -6.5734 -6.5733 -6.5704 -6.5702
0.6360 0.6361 0.8293 0.8295 1.0149 1.0151 2.3190 2.3204
2.3549 2.3573 2.3714 2.3725 2.8546 2.8550 2.9434 2.9456
3.0615 3.0740 3.1275 3.1395 3.1880 3.1883 3.2720 3.2801
3.3089 3.3145 3.3512 3.3514 4.0210 4.0221 4.1541 4.1545
4.3453 4.3482 4.4214 4.4218 4.5018 4.5027 4.7521 4.7527
4.8863 4.8864 5.0055 5.0058 5.7143 5.7171 5.7794 5.7822
5.8215 5.8239 5.8800 5.8824 6.0920 6.0922 6.1449 6.1456
6.2425 6.2434 7.7080 7.7083 8.0897 8.0919 8.1879 8.1906
8.9255 8.9259
k = 0.0345-0.0000-0.0000 ( 6031 PWs) bands (ev):
-7.6944 -7.6944 -6.5766 -6.5766 -6.5735 -6.5732 -6.5704 -6.5701
0.6394 0.6395 0.8323 0.8328 1.0175 1.0180 2.3190 2.3220
2.3525 2.3574 2.3696 2.3716 2.8505 2.8513 2.9421 2.9463
3.0539 3.0786 3.1217 3.1456 3.1865 3.1867 3.2532 3.2607
3.3061 3.3072 3.3703 3.3727 4.0174 4.0193 4.1463 4.1471
4.3368 4.3424 4.4130 4.4140 4.5067 4.5084 4.7629 4.7640
4.8834 4.8836 5.0114 5.0118 5.7128 5.7184 5.7807 5.7864
5.8203 5.8250 5.8799 5.8846 6.0945 6.0949 6.1458 6.1471
6.2403 6.2420 7.6938 7.6945 8.0821 8.0865 8.1810 8.1863
8.9503 8.9511
k = 0.0517-0.0000-0.0000 ( 6023 PWs) bands (ev):
-7.6911 -7.6911 -6.5812 -6.5812 -6.5735 -6.5730 -6.5704 -6.5699
0.6451 0.6453 0.8374 0.8382 1.0219 1.0226 2.3193 2.3242
2.3485 2.3549 2.3688 2.3706 2.8438 2.8449 2.9404 2.9468
3.0455 3.0816 3.1166 3.1515 3.1817 3.1826 3.2329 3.2372
3.3013 3.3058 3.3901 3.3939 4.0110 4.0134 4.1354 4.1370
4.3242 4.3320 4.4004 4.4019 4.5144 4.5165 4.7801 4.7813
4.8787 4.8789 5.0210 5.0215 5.7112 5.7196 5.7836 5.7922
5.8191 5.8260 5.8805 5.8876 6.0985 6.0989 6.1476 6.1499
6.2369 6.2398 7.6715 7.6724 8.0706 8.0771 8.1705 8.1783
8.9902 8.9912
k = 0.0690-0.0000-0.0000 ( 6011 PWs) bands (ev):
-7.6864 -7.6864 -6.5877 -6.5877 -6.5734 -6.5728 -6.5704 -6.5697
0.6530 0.6533 0.8446 0.8457 1.0281 1.0291 2.3197 2.3268
2.3423 2.3494 2.3700 2.3704 2.8344 2.8360 2.9382 2.9469
3.0365 3.0822 3.1128 3.1570 3.1690 3.1717 3.2178 3.2183
3.2956 3.3052 3.4093 3.4140 4.0005 4.0030 4.1238 4.1264
4.3082 4.3176 4.3846 4.3868 4.5235 4.5259 4.8023 4.8031
4.8724 4.8726 5.0341 5.0345 5.7097 5.7207 5.7876 5.7991
5.8181 5.8272 5.8821 5.8916 6.1032 6.1038 6.1505 6.1539
6.2327 6.2369 7.6425 7.6436 8.0558 8.0643 8.1565 8.1667
9.0431 9.0444
k = 0.0862-0.0000-0.0000 ( 6011 PWs) bands (ev):
-7.6804 -7.6804 -6.5960 -6.5959 -6.5734 -6.5726 -6.5703 -6.5695
0.6632 0.6635 0.8538 0.8552 1.0360 1.0373 2.3189 2.3284
2.3349 2.3426 2.3712 2.3727 2.8222 2.8243 2.9354 2.9462
3.0266 3.0798 3.1109 3.1454 3.1496 3.1635 3.2096 3.2109
3.2897 3.3037 3.4274 3.4326 3.9852 3.9872 4.1139 4.1179
4.2895 4.2999 4.3668 4.3694 4.5333 4.5356 4.8279 4.8280
4.8648 4.8653 5.0502 5.0503 5.7080 5.7215 5.7918 5.8061
5.8175 5.8286 5.8848 5.8966 6.1081 6.1088 6.1545 6.1596
6.2280 6.2339 7.6084 7.6096 8.0380 8.0484 8.1393 8.1516
9.1070 9.1085
k = 0.1034-0.0000-0.0000 ( 5999 PWs) bands (ev):
-7.6731 -7.6731 -6.6060 -6.6060 -6.5732 -6.5723 -6.5702 -6.5693
0.6756 0.6759 0.8651 0.8668 1.0457 1.0473 2.3140 2.3197
2.3358 2.3378 2.3730 2.3762 2.8073 2.8099 2.9317 2.9444
3.0162 3.0748 3.1093 3.1174 3.1213 3.1685 3.2078 3.2090
3.2833 3.3014 3.4443 3.4498 3.9649 3.9660 4.1069 4.1126
4.2690 4.2799 4.3477 4.3504 4.5428 4.5449 4.8482 4.8502
4.8620 4.8638 5.0687 5.0691 5.7062 5.7222 5.7955 5.8124
5.8178 5.8307 5.8892 5.9029 6.1125 6.1133 6.1592 6.1665
6.2239 6.2321 7.5708 7.5720 8.0178 8.0299 8.1190 8.1333
9.1799 9.1816
k = 0.1207-0.0000-0.0000 ( 6007 PWs) bands (ev):
-7.6646 -7.6646 -6.6177 -6.6177 -6.5730 -6.5720 -6.5701 -6.5690
0.6901 0.6906 0.8783 0.8804 1.0571 1.0590 2.3030 2.3057
2.3374 2.3401 2.3756 2.3804 2.7894 2.7925 2.9267 2.9410
3.0050 3.0679 3.0856 3.0872 3.1126 3.1729 3.2090 3.2095
3.2764 3.2982 3.4600 3.4655 3.9404 3.9405 4.1031 4.1104
4.2471 4.2581 4.3275 4.3301 4.5515 4.5534 4.8422 4.8431
4.8890 4.8894 5.0891 5.0902 5.7044 5.7227 5.7976 5.8166
5.8194 5.8337 5.8954 5.9106 6.1161 6.1169 6.1631 6.1727
6.2225 6.2331 7.5310 7.5323 7.9952 8.0090 8.0959 8.1120
9.2602 9.2620
k = 0.1379-0.0000-0.0000 ( 6011 PWs) bands (ev):
-7.6547 -7.6547 -6.6310 -6.6310 -6.5728 -6.5716 -6.5699 -6.5687
0.7069 0.7073 0.8935 0.8960 1.0701 1.0723 2.2877 2.2892
2.3397 2.3453 2.3787 2.3851 2.7685 2.7720 2.9201 2.9347
2.9933 3.0517 3.0573 3.0604 3.1125 3.1761 3.2118 3.2118
3.2688 3.2940 3.4745 3.4796 3.9123 3.9134 4.1017 4.1105
4.2248 4.2356 4.3069 4.3091 4.5591 4.5607 4.8310 4.8317
4.9198 4.9215 5.1112 5.1131 5.7025 5.7230 5.7980 5.8187
5.8222 5.8373 5.9038 5.9195 6.1187 6.1197 6.1643 6.1747
6.2275 6.2389 7.4902 7.4915 7.9707 7.9858 8.0702 8.0878
9.3464 9.3483
k = 0.1552-0.0000-0.0000 ( 6011 PWs) bands (ev):
-7.6437 -7.6437 -6.6460 -6.6459 -6.5726 -6.5713 -6.5698 -6.5684
0.7257 0.7262 0.9106 0.9135 1.0847 1.0874 2.2695 2.2705
2.3434 2.3511 2.3825 2.3905 2.7444 2.7484 2.9108 2.9235
2.9815 3.0182 3.0301 3.0520 3.1123 3.1777 3.2159 3.2160
3.2605 3.2891 3.4878 3.4922 3.8829 3.8852 4.1021 4.1123
4.2025 4.2127 4.2860 4.2876 4.5654 4.5667 4.8187 4.8193
4.9519 4.9550 5.1348 5.1377 5.7005 5.7232 5.7970 5.8194
5.8255 5.8407 5.9141 5.9296 6.1206 6.1218 6.1615 6.1709
6.2400 6.2505 7.4493 7.4505 7.9444 7.9607 8.0423 8.0611
9.4373 9.4393
k = 0.1724-0.0000-0.0000 ( 6015 PWs) bands (ev):
-7.6314 -7.6314 -6.6624 -6.6624 -6.5724 -6.5709 -6.5696 -6.5681
0.7465 0.7472 0.9295 0.9329 1.1009 1.1040 2.2490 2.2498
2.3478 2.3574 2.3867 2.3963 2.7171 2.7214 2.8970 2.9046
2.9705 2.9871 3.0079 3.0434 3.1114 3.1778 3.2207 3.2218
3.2517 3.2834 3.4999 3.5033 3.8534 3.8571 4.1037 4.1152
4.1806 4.1900 4.2652 4.2659 4.5703 4.5713 4.8055 4.8062
4.9848 4.9892 5.1595 5.1634 5.6985 5.7231 5.7953 5.8193
5.8289 5.8435 5.9258 5.9407 6.1220 6.1235 6.1555 6.1634
6.2577 6.2669 7.4088 7.4100 7.9165 7.9338 8.0124 8.0322
9.5319 9.5339
k = 0.1897-0.0000-0.0000 ( 6019 PWs) bands (ev):
-7.6179 -7.6179 -6.6802 -6.6802 -6.5721 -6.5705 -6.5693 -6.5677
0.7694 0.7701 0.9502 0.9541 1.1186 1.1222 2.2264 2.2272
2.3529 2.3643 2.3913 2.4025 2.6865 2.6910 2.8761 2.8773
2.9607 2.9615 2.9913 3.0348 3.1098 3.1763 3.2259 3.2288
3.2422 3.2773 3.5109 3.5129 3.8247 3.8300 4.1060 4.1186
4.1595 4.1679 4.2443 4.2446 4.5738 4.5745 4.7917 4.7925
5.0182 5.0240 5.1850 5.1901 5.6964 5.7229 5.7930 5.8186
5.8319 5.8455 5.9383 5.9522 6.1229 6.1247 6.1475 6.1540
6.2789 6.2867 7.3693 7.3704 7.8874 7.9054 7.9808 8.0015
9.6291 9.6312
k = 0.2069-0.0000-0.0000 ( 6015 PWs) bands (ev):
-7.6033 -7.6033 -6.6993 -6.6993 -6.5718 -6.5701 -6.5691 -6.5674
0.7941 0.7949 0.9727 0.9772 1.1377 1.1419 2.2020 2.2029
2.3585 2.3717 2.3963 2.4092 2.6526 2.6573 2.8436 2.8469
2.9428 2.9516 2.9793 3.0261 3.1073 3.1735 3.2310 3.2319
3.2371 3.2714 3.5209 3.5212 3.7975 3.8046 4.1086 4.1222
4.1396 4.1467 4.2229 4.2246 4.5761 4.5765 4.7776 4.7785
5.0518 5.0591 5.2112 5.2174 5.6942 5.7225 5.7905 5.8174
5.8345 5.8470 5.9513 5.9641 6.1235 6.1256 6.1384 6.1439
6.3021 6.3091 7.3312 7.3323 7.8572 7.8759 7.9480 7.9692
9.7283 9.7303
k = 0.2241-0.0000-0.0000 ( 6015 PWs) bands (ev):
-7.5876 -7.5876 -6.7197 -6.7197 -6.5714 -6.5697 -6.5688 -6.5670
0.8206 0.8216 0.9969 1.0020 1.1580 1.1630 2.1759 2.1769
2.3643 2.3794 2.4014 2.4161 2.6156 2.6203 2.8059 2.8114
2.9294 2.9423 2.9706 3.0176 3.1041 3.1695 3.2218 3.2343
3.2456 3.2670 3.5281 3.5300 3.7722 3.7813 4.1107 4.1189
4.1271 4.1278 4.2022 4.2054 4.5772 4.5774 4.7633 4.7643
5.0855 5.0943 5.2378 5.2452 5.6919 5.7218 5.7876 5.8159
5.8368 5.8481 5.9641 5.9760 6.1223 6.1252 6.1299 6.1342
6.3270 6.3332 7.2947 7.2957 7.8263 7.8454 7.9141 7.9357
9.8285 9.8305
k = 0.2414-0.0000-0.0000 ( 6019 PWs) bands (ev):
-7.5709 -7.5709 -6.7412 -6.7412 -6.5711 -6.5693 -6.5685 -6.5667
0.8489 0.8499 1.0226 1.0286 1.1796 1.1853 2.1482 2.1493
2.3704 2.3876 2.4068 2.4235 2.5757 2.5804 2.7658 2.7722
2.9189 2.9329 2.9640 3.0093 3.1000 3.1643 3.2113 3.2335
3.2546 3.2664 3.5337 3.5381 3.7490 3.7604 4.1020 4.1046
4.1163 4.1303 4.1826 4.1875 4.5774 4.5775 4.7487 4.7498
5.1190 5.1293 5.2646 5.2732 5.6894 5.7209 5.7846 5.8140
5.8388 5.8490 5.9765 5.9875 6.1149 6.1188 6.1272 6.1301
6.3529 6.3585 7.2599 7.2608 7.7950 7.8143 7.8798 7.9015
9.9291 9.9310
k = 0.2586-0.0000-0.0000 ( 6023 PWs) bands (ev):
-7.5532 -7.5532 -6.7637 -6.7637 -6.5708 -6.5690 -6.5681 -6.5663
0.8787 0.8799 1.0498 1.0567 1.2022 1.2089 2.1191 2.1203
2.3765 2.3961 2.4121 2.4310 2.5335 2.5379 2.7244 2.7310
2.9100 2.9234 2.9587 3.0011 3.0953 3.1580 3.2009 3.2282
3.2638 3.2702 3.5379 3.5453 3.7282 3.7423 4.0857 4.0880
4.1162 4.1318 4.1655 4.1717 4.5767 4.5769 4.7341 4.7354
5.1523 5.1641 5.2913 5.3012 5.6869 5.7197 5.7813 5.8118
5.8405 5.8497 5.9882 5.9984 6.1047 6.1083 6.1273 6.1302
6.3796 6.3847 7.2269 7.2277 7.7636 7.7829 7.8451 7.8668
10.0291 10.0309
k = 0.2759-0.0000-0.0000 ( 6014 PWs) bands (ev):
-7.5345 -7.5345 -6.7871 -6.7871 -6.5704 -6.5687 -6.5677 -6.5660
0.9099 0.9112 1.0785 1.0864 1.2257 1.2335 2.0886 2.0900
2.3819 2.4049 2.4166 2.4386 2.4897 2.4937 2.6823 2.6889
2.9020 2.9141 2.9541 2.9933 3.0900 3.1503 3.1909 3.2200
3.2731 3.2765 3.5410 3.5516 3.7100 3.7269 4.0709 4.0718
4.1145 4.1278 4.1547 4.1595 4.5754 4.5758 4.7196 4.7210
5.1851 5.1984 5.3178 5.3288 5.6842 5.7183 5.7780 5.8093
5.8420 5.8502 5.9992 6.0087 6.0941 6.0974 6.1277 6.1308
6.4067 6.4114 7.1957 7.1963 7.7324 7.7516 7.8106 7.8321
10.1280 10.1296
k = 0.2931-0.0000-0.0000 ( 5998 PWs) bands (ev):
-7.5150 -7.5150 -6.8112 -6.8112 -6.5701 -6.5684 -6.5673 -6.5657
0.9423 0.9438 1.1085 1.1176 1.2499 1.2590 2.0571 2.0587
2.3841 2.4135 2.4167 2.4436 2.4500 2.4524 2.6403 2.6466
2.8946 2.9052 2.9500 2.9857 3.0842 3.1413 3.1815 3.2106
3.2824 3.2839 3.5430 3.5568 3.6944 3.7140 4.0569 4.0575
4.1086 4.1157 4.1524 4.1527 4.5738 4.5742 4.7054 4.7069
5.2174 5.2322 5.3439 5.3560 5.6815 5.7166 5.7745 5.8065
5.8434 5.8507 6.0092 6.0181 6.0837 6.0866 6.1283 6.1316
6.4340 6.4383 7.1662 7.1668 7.7018 7.7206 7.7767 7.7977
10.2247 10.2263
k = 0.3103-0.0000-0.0000 ( 5998 PWs) bands (ev):
-7.4948 -7.4948 -6.8359 -6.8359 -6.5697 -6.5682 -6.5669 -6.5654
0.9757 0.9774 1.1397 1.1502 1.2746 1.2853 2.0246 2.0264
2.3700 2.3873 2.4189 2.4229 2.4378 2.4546 2.5987 2.6047
2.8876 2.8967 2.9461 2.9784 3.0780 3.1311 3.1729 3.2007
3.2914 3.2917 3.5440 3.5611 3.6812 3.7035 4.0435 4.0456
4.0987 4.1006 4.1501 4.1544 4.5720 4.5724 4.6914 4.6931
5.2489 5.2651 5.3692 5.3823 5.6786 5.7145 5.7709 5.8033
5.8446 5.8511 6.0183 6.0266 6.0736 6.0763 6.1290 6.1323
6.4613 6.4652 7.1385 7.1390 7.6721 7.6904 7.7436 7.7640
10.3186 10.3200
k = 0.3276-0.0000-0.0000 ( 6006 PWs) bands (ev):
-7.4739 -7.4739 -6.8611 -6.8611 -6.5694 -6.5679 -6.5665 -6.5651
1.0099 1.0117 1.1719 1.1842 1.2995 1.3120 1.9914 1.9933
2.3298 2.3401 2.4160 2.4314 2.4403 2.4618 2.5584 2.5638
2.8811 2.8888 2.9425 2.9713 3.0716 3.1200 3.1652 3.1907
3.2994 3.3001 3.5444 3.5641 3.6706 3.6950 4.0315 4.0351
4.0853 4.0869 4.1507 4.1569 4.5701 4.5705 4.6779 4.6797
5.2795 5.2970 5.3935 5.4077 5.6756 5.7121 5.7672 5.7998
5.8456 5.8513 6.0265 6.0342 6.0641 6.0664 6.1296 6.1330
6.4882 6.4918 7.1124 7.1128 7.6436 7.6612 7.7118 7.7313
10.4086 10.4098
k = 0.3448-0.0000-0.0000 ( 6006 PWs) bands (ev):
-7.4525 -7.4525 -6.8865 -6.8865 -6.5691 -6.5677 -6.5661 -6.5648
1.0444 1.0464 1.2050 1.2193 1.3243 1.3391 1.9575 1.9597
2.2816 2.2901 2.4200 2.4381 2.4454 2.4682 2.5204 2.5251
2.8752 2.8815 2.9391 2.9646 3.0651 3.1084 3.1581 3.1808
3.3069 3.3083 3.5444 3.5660 3.6626 3.6883 4.0210 4.0261
4.0709 4.0749 4.1524 4.1596 4.5683 4.5688 4.6649 4.6668
5.3091 5.3278 5.4165 5.4316 5.6726 5.7093 5.7634 5.7959
5.8466 5.8516 6.0336 6.0407 6.0553 6.0573 6.1303 6.1337
6.5145 6.5178 7.0879 7.0882 7.6167 7.6334 7.6817 7.7002
10.4939 10.4948
k = 0.3621-0.0000-0.0000 ( 5990 PWs) bands (ev):
-7.4308 -7.4308 -6.9120 -6.9120 -6.5688 -6.5676 -6.5658 -6.5646
1.0788 1.0811 1.2387 1.2555 1.3486 1.3663 1.9235 1.9259
2.2319 2.2397 2.4244 2.4388 2.4522 2.4698 2.4884 2.4936
2.8697 2.8749 2.9359 2.9580 3.0587 3.0968 3.1518 3.1714
3.3141 3.3159 3.5441 3.5668 3.6570 3.6830 4.0121 4.0185
4.0575 4.0633 4.1546 4.1620 4.5669 4.5672 4.6526 4.6546
5.3373 5.3573 5.4379 5.4538 5.6698 5.7062 5.7599 5.7917
5.8475 5.8518 6.0398 6.0448 6.0486 6.0490 6.1311 6.1344
6.5400 6.5430 7.0651 7.0652 7.5916 7.6073 7.6536 7.6709
10.5733 10.5740
k = 0.3793-0.0000-0.0000 ( 5990 PWs) bands (ev):
-7.4090 -7.4090 -6.9372 -6.9372 -6.5685 -6.5674 -6.5654 -6.5644
1.1128 1.1152 1.2726 1.2924 1.3721 1.3932 1.8894 1.8921
2.1825 2.1899 2.4234 2.4250 2.4531 2.4591 2.4723 2.4876
2.8648 2.8690 2.9330 2.9518 3.0527 3.0853 3.1461 3.1626
3.3207 3.3228 3.5439 3.5664 3.6534 3.6787 4.0046 4.0121
4.0452 4.0525 4.1570 4.1641 4.5658 4.5661 4.6410 4.6430
5.3642 5.3852 5.4573 5.4739 5.6670 5.7027 5.7564 5.7872
5.8483 5.8520 6.0390 6.0406 6.0459 6.0516 6.1319 6.1350
6.5643 6.5670 7.0438 7.0438 7.5688 7.5833 7.6279 7.6438
10.6457 10.6462
k = 0.3966-0.0000-0.0000 ( 6006 PWs) bands (ev):
-7.3875 -7.3874 -6.9618 -6.9618 -6.5682 -6.5673 -6.5651 -6.5642
1.1455 1.1480 1.3062 1.3296 1.3941 1.4194 1.8556 1.8586
2.1347 2.1417 2.3985 2.4033 2.4472 2.4637 2.4728 2.4916
2.8606 2.8638 2.9303 2.9459 3.0471 3.0745 3.1410 3.1546
3.3267 3.3289 3.5438 3.5650 3.6517 3.6752 3.9986 4.0071
4.0342 4.0426 4.1592 4.1659 4.5652 4.5653 4.6302 4.6322
5.3893 5.4112 5.4741 5.4915 5.6646 5.6988 5.7532 5.7823
5.8489 5.8521 6.0326 6.0341 6.0502 6.0554 6.1327 6.1355
6.5872 6.5896 7.0240 7.0241 7.5485 7.5615 7.6050 7.6192
10.7099 10.7103
k = 0.4138-0.0000-0.0000 ( 6002 PWs) bands (ev):
-7.3665 -7.3665 -6.9854 -6.9853 -6.5680 -6.5672 -6.5648 -6.5641
1.1763 1.1788 1.3387 1.3665 1.4145 1.4448 1.8227 1.8261
2.0896 2.0963 2.3709 2.3759 2.4507 2.4666 2.4788 2.4959
2.8570 2.8595 2.9279 2.9405 3.0423 3.0646 3.1367 3.1476
3.3320 3.3342 3.5439 3.5630 3.6514 3.6722 3.9939 4.0032
4.0246 4.0338 4.1613 4.1672 4.5651 4.5652 4.6203 4.6223
5.4127 5.4352 5.4881 5.5061 5.6629 5.6946 5.7505 5.7772
5.8496 5.8522 6.0270 6.0282 6.0539 6.0584 6.1334 6.1359
6.6082 6.6102 7.0062 7.0064 7.5311 7.5423 7.5852 7.5975
10.7649 10.7652
k = 0.4310-0.0000-0.0000 ( 5998 PWs) bands (ev):
-7.3469 -7.3469 -7.0072 -7.0072 -6.5677 -6.5671 -6.5646 -6.5639
1.2042 1.2066 1.3692 1.4013 1.4333 1.4686 1.7914 1.7951
2.0488 2.0549 2.3461 2.3504 2.4553 2.4687 2.4851 2.4995
2.8542 2.8560 2.9259 2.9357 3.0385 3.0558 3.1332 3.1415
3.3365 3.3385 3.5445 3.5605 3.6521 3.6695 3.9907 4.0003
4.0164 4.0260 4.1632 4.1682 4.5655 4.5657 4.6116 4.6134
5.4340 5.4568 5.4987 5.5173 5.6621 5.6901 5.7486 5.7720
5.8502 5.8522 6.0223 6.0233 6.0571 6.0607 6.1342 6.1362
6.6268 6.6285 6.9906 6.9907 7.5167 7.5260 7.5689 7.5791
10.8097 10.8100
k = 0.4483-0.0000-0.0000 ( 5994 PWs) bands (ev):
-7.3293 -7.3293 -7.0265 -7.0264 -6.5676 -6.5671 -6.5644 -6.5639
1.2281 1.2301 1.3964 1.4288 1.4539 1.4901 1.7626 1.7666
2.0140 2.0192 2.3257 2.3291 2.4598 2.4701 2.4909 2.5021
2.8520 2.8533 2.9243 2.9314 3.0357 3.0484 3.1305 3.1366
3.3402 3.3418 3.5454 3.5579 3.6536 3.6670 3.9888 3.9981
4.0101 4.0194 4.1649 4.1687 4.5664 4.5668 4.6040 4.6057
5.4529 5.4753 5.5058 5.5245 5.6627 5.6855 5.7478 5.7667
5.8507 5.8522 6.0187 6.0194 6.0596 6.0624 6.1348 6.1364
6.6424 6.6437 6.9775 6.9776 7.5056 7.5128 7.5562 7.5641
10.8442 10.8444
k = 0.4655-0.0000-0.0000 ( 6002 PWs) bands (ev):
-7.3152 -7.3152 -7.0419 -7.0419 -6.5674 -6.5671 -6.5642 -6.5639
1.2467 1.2482 1.4188 1.4431 1.4795 1.5076 1.7383 1.7421
1.9873 1.9912 2.3106 2.3130 2.4637 2.4707 2.4958 2.5034
2.8505 2.8513 2.9234 2.9280 3.0341 3.0425 3.1288 3.1327
3.3429 3.3441 3.5467 3.5552 3.6554 3.6646 3.9882 3.9958
4.0062 4.0139 4.1663 4.1689 4.5678 4.5682 4.5980 4.5993
5.4692 5.4893 5.5101 5.5276 5.6645 5.6808 5.7481 5.7615
5.8511 5.8521 6.0161 6.0166 6.0614 6.0633 6.1354 6.1365
6.6543 6.6552 6.9675 6.9676 7.4979 7.5028 7.5474 7.5527
10.8685 10.8687
k = 0.4828-0.0000-0.0000 ( 6002 PWs) bands (ev):
-7.3058 -7.3058 -7.0520 -7.0520 -6.5673 -6.5671 -6.5640 -6.5639
1.2587 1.2595 1.4352 1.4476 1.5027 1.5178 1.7216 1.7242
1.9707 1.9728 2.3015 2.3028 2.4668 2.4704 2.4996 2.5035
2.8497 2.8501 2.9232 2.9255 3.0339 3.0381 3.1281 3.1301
3.3447 3.3453 3.5484 3.5527 3.6576 3.6622 3.9888 3.9931
4.0053 4.0096 4.1674 4.1687 4.5691 4.5695 4.5940 4.5948
5.4823 5.4951 5.5151 5.5265 5.6676 5.6760 5.7499 5.7568
5.8515 5.8520 6.0146 6.0148 6.0627 6.0637 6.1358 6.1364
6.6619 6.6624 6.9612 6.9613 7.4937 7.4962 7.5426 7.5453
10.8830 10.8832
k = 0.5000-0.0000-0.0000 ( 5942 PWs) bands (ev):
-7.3024 -7.3024 -7.0556 -7.0556 -6.5672 -6.5672 -6.5639 -6.5639
1.2631 1.2631 1.4449 1.4449 1.5167 1.5167 1.7165 1.7165
1.9657 1.9657 2.2989 2.2989 2.4691 2.4691 2.5023 2.5023
2.8497 2.8497 2.9240 2.9240 3.0352 3.0352 3.1285 3.1285
3.3457 3.3457 3.5505 3.5505 3.6600 3.6600 3.9906 3.9906
4.0067 4.0067 4.1684 4.1684 4.5700 4.5700 4.5929 4.5929
5.4917 5.4917 5.5218 5.5218 5.6718 5.6718 5.7530 5.7530
5.8519 5.8519 6.0144 6.0144 6.0635 6.0635 6.1364 6.1364
6.6650 6.6650 6.9591 6.9591 7.4932 7.4932 7.5419 7.5419
10.8879 10.8879
k = 0.5000-0.0000-0.0000 ( 5942 PWs) bands (ev):
-7.3024 -7.3024 -7.0556 -7.0556 -6.5672 -6.5672 -6.5639 -6.5639
1.2631 1.2631 1.4449 1.4449 1.5167 1.5167 1.7165 1.7165
1.9657 1.9657 2.2989 2.2989 2.4691 2.4691 2.5023 2.5023
2.8497 2.8497 2.9240 2.9240 3.0352 3.0352 3.1285 3.1285
3.3457 3.3457 3.5505 3.5505 3.6600 3.6600 3.9906 3.9906
4.0067 4.0067 4.1684 4.1684 4.5700 4.5700 4.5929 4.5929
5.4917 5.4917 5.5218 5.5218 5.6718 5.6718 5.7530 5.7530
5.8519 5.8519 6.0144 6.0144 6.0635 6.0635 6.1364 6.1364
6.6650 6.6650 6.9591 6.9591 7.4932 7.4932 7.5419 7.5419
10.8879 10.8879
k = 0.5000 0.0172-0.0000 ( 5984 PWs) bands (ev):
-7.3019 -7.3019 -7.0553 -7.0552 -6.5677 -6.5676 -6.5644 -6.5643
1.2619 1.2642 1.4443 1.4456 1.5153 1.5178 1.7151 1.7176
1.9626 1.9683 2.2958 2.3018 2.4682 2.4693 2.4994 2.5049
2.8498 2.8500 2.9231 2.9234 3.0332 3.0349 3.1246 3.1300
3.3441 3.3477 3.5508 3.5509 3.6598 3.6603 3.9903 3.9919
4.0048 4.0078 4.1675 4.1690 4.5690 4.5720 4.5943 4.5956
5.4884 5.4888 5.5208 5.5213 5.6696 5.6739 5.7456 5.7564
5.8506 5.8607 6.0150 6.0165 6.0615 6.0656 6.1343 6.1405
6.6646 6.6656 6.9590 6.9605 7.4929 7.4931 7.5389 7.5416
10.8885 10.8931
k = 0.5000 0.0344-0.0000 ( 5992 PWs) bands (ev):
-7.3004 -7.3003 -7.0543 -7.0541 -6.5691 -6.5690 -6.5656 -6.5656
1.2606 1.2653 1.4439 1.4465 1.5137 1.5188 1.7135 1.7185
1.9588 1.9703 2.2925 2.3045 2.4669 2.4688 2.4967 2.5072
2.8505 2.8508 2.9210 2.9216 3.0291 3.0323 3.1186 3.1289
3.3434 3.3505 3.5520 3.5520 3.6600 3.6608 3.9909 3.9940
4.0024 4.0082 4.1668 4.1698 4.5692 4.5754 4.5998 4.6024
5.4790 5.4797 5.5184 5.5195 5.6675 5.6770 5.7373 5.7548
5.8576 5.8747 6.0189 6.0219 6.0594 6.0675 6.1347 6.1468
6.6650 6.6670 6.9600 6.9630 7.4913 7.4921 7.5328 7.5393
10.8947 10.9039
k = 0.5000 0.0517-0.0000 ( 6000 PWs) bands (ev):
-7.2979 -7.2978 -7.0526 -7.0523 -6.5716 -6.5715 -6.5676 -6.5676
1.2593 1.2662 1.4439 1.4474 1.5118 1.5197 1.7117 1.7192
1.9546 1.9716 2.2892 2.3070 2.4651 2.4674 2.4942 2.5093
2.8517 2.8520 2.9176 2.9185 3.0229 3.0273 3.1106 3.1253
3.3434 3.3539 3.5536 3.5541 3.6606 3.6615 3.9924 3.9964
4.0001 4.0082 4.1661 4.1706 4.5706 4.5798 4.6093 4.6131
5.4634 5.4645 5.5151 5.5167 5.6651 5.6812 5.7307 5.7499
5.8708 5.8917 6.0261 6.0305 6.0566 6.0688 6.1381 6.1556
6.6663 6.6693 6.9621 6.9668 7.4848 7.4879 7.5264 7.5380
10.9066 10.9202
k = 0.5000 0.0689-0.0000 ( 5998 PWs) bands (ev):
-7.2944 -7.2942 -7.0502 -7.0499 -6.5751 -6.5751 -6.5703 -6.5701
1.2578 1.2668 1.4443 1.4484 1.5098 1.5207 1.7097 1.7197
1.9500 1.9723 2.2860 2.3093 2.4630 2.4650 2.4921 2.5110
2.8534 2.8536 2.9132 2.9140 3.0149 3.0201 3.1009 3.1192
3.3442 3.3578 3.5556 3.5570 3.6616 3.6623 3.9941 3.9944
4.0026 4.0081 4.1654 4.1714 4.5730 4.5854 4.6223 4.6273
5.4424 5.4438 5.5109 5.5132 5.6622 5.6868 5.7269 5.7436
5.8874 5.9103 6.0364 6.0421 6.0528 6.0690 6.1446 6.1667
6.6685 6.6724 6.9652 6.9716 7.4711 7.4760 7.5244 7.5405
10.9239 10.9419
k = 0.5000 0.0861-0.0000 ( 6002 PWs) bands (ev):
-7.2898 -7.2896 -7.0472 -7.0467 -6.5798 -6.5797 -6.5736 -6.5733
1.2561 1.2668 1.4452 1.4493 1.5077 1.5219 1.7076 1.7201
1.9449 1.9722 2.2830 2.3115 2.4605 2.4615 2.4904 2.5123
2.8553 2.8554 2.9075 2.9081 3.0055 3.0108 3.0899 3.1107
3.3456 3.3622 3.5577 3.5607 3.6631 3.6633 3.9902 3.9952
4.0076 4.0089 4.1647 4.1721 4.5764 4.5919 4.6387 4.6448
5.4166 5.4185 5.5060 5.5089 5.6588 5.6938 5.7264 5.7372
5.9056 5.9296 6.0475 6.0497 6.0570 6.0679 6.1543 6.1801
6.6719 6.6766 6.9693 6.9775 7.4504 7.4553 7.5277 7.5468
10.9464 10.9686
k = 0.5000 0.1033-0.0000 ( 6000 PWs) bands (ev):
-7.2843 -7.2840 -7.0435 -7.0429 -6.5856 -6.5855 -6.5776 -6.5771
1.2539 1.2661 1.4467 1.4500 1.5058 1.5237 1.7055 1.7206
1.9396 1.9715 2.2804 2.3138 2.4571 2.4577 2.4891 2.5133
2.8569 2.8575 2.9007 2.9008 2.9949 2.9998 3.0779 3.1000
3.3477 3.3669 3.5597 3.5649 3.6644 3.6651 3.9855 3.9945
4.0118 4.0136 4.1640 4.1727 4.5806 4.5993 4.6579 4.6650
5.3872 5.3897 5.5002 5.5038 5.6551 5.7021 5.7291 5.7313
5.9245 5.9491 6.0410 6.0637 6.0680 6.0749 6.1667 6.1954
6.6768 6.6821 6.9743 6.9843 7.4240 7.4281 7.5346 7.5558
10.9738 11.0001
k = 0.5000 0.1206-0.0000 ( 6008 PWs) bands (ev):
-7.2778 -7.2775 -7.0391 -7.0384 -6.5925 -6.5923 -6.5822 -6.5815
1.2513 1.2645 1.4485 1.4503 1.5042 1.5263 1.7036 1.7211
1.9340 1.9701 2.2783 2.3161 2.4521 2.4546 2.4879 2.5138
2.8578 2.8595 2.8920 2.8933 2.9835 2.9874 3.0651 3.0875
3.3503 3.3719 3.5615 3.5694 3.6656 3.6675 3.9802 3.9919
4.0169 4.0204 4.1632 4.1732 4.5853 4.6073 4.6794 4.6875
5.3550 5.3582 5.4936 5.4979 5.6514 5.7115 5.7264 5.7347
5.9433 5.9685 6.0335 6.0607 6.0866 6.0957 6.1812 6.2120
6.6834 6.6891 6.9798 6.9920 7.3931 7.3960 7.5436 7.5667
11.0058 11.0358
k = 0.5000 0.1378-0.0000 ( 6008 PWs) bands (ev):
-7.2703 -7.2700 -7.0340 -7.0333 -6.6005 -6.6001 -6.5873 -6.5866
1.2481 1.2619 1.4499 1.4502 1.5035 1.5299 1.7019 1.7218
1.9283 1.9681 2.2770 2.3187 2.4467 2.4512 2.4869 2.5139
2.8570 2.8607 2.8824 2.8859 2.9717 2.9740 3.0519 3.0734
3.3533 3.3771 3.5631 3.5741 3.6670 3.6703 3.9746 3.9880
4.0234 4.0280 4.1625 4.1735 4.5905 4.6157 4.7028 4.7118
5.3211 5.3252 5.4863 5.4914 5.6478 5.7171 5.7274 5.7429
5.9613 5.9874 6.0257 6.0555 6.1095 6.1196 6.1973 6.2293
6.6922 6.6979 6.9856 7.0003 7.3587 7.3600 7.5540 7.5788
11.0419 11.0753
k = 0.5000 0.1550-0.0000 ( 6002 PWs) bands (ev):
-7.2619 -7.2615 -7.0284 -7.0275 -6.6094 -6.6089 -6.5931 -6.5922
1.2443 1.2584 1.4487 1.4513 1.5042 1.5347 1.7008 1.7230
1.9225 1.9655 2.2763 2.3215 2.4410 2.4475 2.4859 2.5136
2.8521 2.8580 2.8745 2.8804 2.9600 2.9600 3.0386 3.0582
3.3569 3.3825 3.5645 3.5789 3.6686 3.6735 3.9687 3.9833
4.0310 4.0361 4.1617 4.1737 4.5959 4.6242 4.7275 4.7374
5.2861 5.2913 5.4782 5.4841 5.6445 5.7143 5.7389 5.7534
5.9765 6.0051 6.0195 6.0498 6.1356 6.1463 6.2146 6.2467
6.7036 6.7090 6.9914 7.0089 7.3209 7.3218 7.5652 7.5916
11.0815 11.1181
k = 0.5000 0.1722-0.0000 ( 6006 PWs) bands (ev):
-7.2526 -7.2522 -7.0221 -7.0212 -6.6192 -6.6187 -6.5995 -6.5985
1.2399 1.2539 1.4465 1.4510 1.5069 1.5404 1.7006 1.7249
1.9168 1.9623 2.2765 2.3247 2.4352 2.4436 2.4848 2.5130
2.8417 2.8475 2.8721 2.8780 2.9460 2.9488 3.0254 3.0421
3.3606 3.3879 3.5656 3.5835 3.6704 3.6769 3.9624 3.9779
4.0394 4.0447 4.1610 4.1738 4.6011 4.6325 4.7531 4.7638
5.2508 5.2573 5.4696 5.4762 5.6416 5.7104 5.7533 5.7660
5.9833 6.0193 6.0208 6.0460 6.1647 6.1752 6.2327 6.2636
6.7181 6.7227 6.9965 7.0175 7.2796 7.2833 7.5770 7.6048
11.1240 11.1634
k = 0.5000 0.1895-0.0000 ( 6004 PWs) bands (ev):
-7.2424 -7.2419 -7.0152 -7.0142 -6.6300 -6.6294 -6.6064 -6.6053
1.2350 1.2485 1.4433 1.4490 1.5116 1.5468 1.7019 1.7278
1.9112 1.9587 2.2776 2.3282 2.4295 2.4395 2.4836 2.5120
2.8266 2.8318 2.8719 2.8771 2.9323 2.9385 3.0128 3.0255
3.3647 3.3933 3.5666 3.5879 3.6724 3.6806 3.9558 3.9718
4.0483 4.0536 4.1604 4.1737 4.6060 4.6404 4.7792 4.7906
5.2160 5.2239 5.4603 5.4677 5.6389 5.7068 5.7695 5.7807
5.9787 6.0220 6.0325 6.0521 6.1966 6.2053 6.2521 6.2796
6.7360 6.7392 7.0000 7.0255 7.2371 7.2446 7.5889 7.6179
11.1687 11.2106
k = 0.5000 0.2067-0.0000 ( 6016 PWs) bands (ev):
-7.2314 -7.2308 -7.0078 -7.0067 -6.6417 -6.6410 -6.6140 -6.6128
1.2296 1.2425 1.4392 1.4455 1.5177 1.5533 1.7052 1.7320
1.9060 1.9548 2.2795 2.3321 2.4239 2.4353 2.4824 2.5105
2.8079 2.8133 2.8711 2.8763 2.9194 2.9296 3.0010 3.0088
3.3690 3.3986 3.5674 3.5919 3.6746 3.6843 3.9489 3.9652
4.0576 4.0628 4.1598 4.1734 4.6101 4.6474 4.8053 4.8173
5.1821 5.1917 5.4505 5.4587 5.6367 5.7036 5.7871 5.7971
5.9689 6.0150 6.0484 6.0664 6.2312 6.2339 6.2749 6.2943
6.7576 6.7590 7.0003 7.0313 7.1949 7.2074 7.6006 7.6307
11.2150 11.2588
k = 0.5000 0.2239-0.0000 ( 6018 PWs) bands (ev):
-7.2195 -7.2189 -6.9998 -6.9987 -6.6542 -6.6535 -6.6220 -6.6207
1.2239 1.2360 1.4343 1.4407 1.5246 1.5590 1.7111 1.7381
1.9012 1.9507 2.2822 2.3364 2.4188 2.4309 2.4810 2.5087
2.7865 2.7927 2.8685 2.8744 2.9078 2.9226 2.9902 2.9925
3.3734 3.4037 3.5682 3.5956 3.6771 3.6881 3.9417 3.9581
4.0672 4.0720 4.1594 4.1731 4.6132 4.6530 4.8311 4.8438
5.1500 5.1613 5.4403 5.4492 5.6350 5.7007 5.8062 5.8153
5.9574 6.0051 6.0651 6.0821 6.2572 6.2675 6.3045 6.3081
6.7822 6.7832 6.9949 7.0320 7.1565 7.1747 7.6118 7.6427
11.2617 11.3070
k = 0.5000 0.2411-0.0000 ( 6022 PWs) bands (ev):
-7.2069 -7.2063 -6.9913 -6.9901 -6.6675 -6.6667 -6.6306 -6.6292
1.2181 1.2291 1.4287 1.4349 1.5313 1.5635 1.7202 1.7463
1.8968 1.9466 2.2856 2.3410 2.4140 2.4265 2.4795 2.5064
2.7626 2.7702 2.8638 2.8702 2.8983 2.9175 2.9771 2.9809
3.3778 3.4086 3.5691 3.5988 3.6799 3.6919 3.9344 3.9507
4.0769 4.0813 4.1590 4.1726 4.6150 4.6570 4.8565 4.8696
5.1202 5.1331 5.4298 5.4394 5.6336 5.6982 5.8267 5.8352
5.9452 5.9942 6.0816 6.0976 6.2743 6.3006 6.3254 6.3410
6.8090 6.8127 6.9806 7.0212 7.1284 7.1498 7.6220 7.6537
11.3080 11.3544
k = 0.5000 0.2584-0.0000 ( 6018 PWs) bands (ev):
-7.1935 -7.1928 -6.9823 -6.9810 -6.6815 -6.6807 -6.6396 -6.6381
1.2121 1.2221 1.4226 1.4286 1.5372 1.5662 1.7329 1.7572
1.8931 1.9426 2.2898 2.3458 2.4098 2.4221 2.4781 2.5038
2.7365 2.7460 2.8569 2.8631 2.8912 2.9136 2.9634 2.9732
3.3824 3.4132 3.5700 3.6016 3.6828 3.6957 3.9270 3.9429
4.0865 4.0904 4.1588 4.1721 4.6152 4.6590 4.8811 4.8946
5.0933 5.1076 5.4189 5.4292 5.6328 5.6960 5.8486 5.8566
5.9329 5.9827 6.0977 6.1126 6.2873 6.3179 6.3585 6.3817
6.8393 6.8458 6.9559 6.9938 7.1162 7.1345 7.6310 7.6633
11.3528 11.3998
k = 0.5000 0.2756-0.0000 ( 6024 PWs) bands (ev):
-7.1794 -7.1787 -6.9729 -6.9715 -6.6963 -6.6954 -6.6491 -6.6475
1.2061 1.2151 1.4161 1.4218 1.5418 1.5670 1.7489 1.7708
1.8902 1.9388 2.2944 2.3508 2.4061 2.4178 2.4766 2.5008
2.7087 2.7204 2.8484 2.8536 2.8859 2.9095 2.9524 2.9671
3.3869 3.4174 3.5711 3.6040 3.6860 3.6994 3.9194 3.9348
4.0959 4.0992 4.1587 4.1715 4.6137 4.6585 4.9047 4.9185
5.0698 5.0851 5.4078 5.4187 5.6324 5.6942 5.8715 5.8794
5.9208 5.9707 6.1130 6.1269 6.2975 6.3260 6.4003 6.4248
6.8729 6.8823 6.9224 6.9544 7.1151 7.1273 7.6384 7.6712
11.3950 11.4421
k = 0.5000 0.2928-0.0000 ( 6034 PWs) bands (ev):
-7.1647 -7.1639 -6.9631 -6.9617 -6.7117 -6.7108 -6.6590 -6.6574
1.2003 1.2083 1.4094 1.4148 1.5449 1.5661 1.7678 1.7870
1.8882 1.9354 2.2995 2.3558 2.4030 2.4136 2.4751 2.4973
2.6793 2.6935 2.8388 2.8429 2.8811 2.9039 2.9451 2.9626
3.3914 3.4213 3.5724 3.6059 3.6893 3.7030 3.9119 3.9267
4.1051 4.1077 4.1588 4.1708 4.6104 4.6553 4.9274 4.9412
5.0500 5.0657 5.3966 5.4080 5.6325 5.6926 5.8936 5.9034
5.9112 5.9588 6.1276 6.1405 6.3054 6.3309 6.4443 6.4690
6.8835 6.9083 6.9095 6.9234 7.1186 7.1251 7.6440 7.6771
11.4331 11.4802
k = 0.5000 0.3100-0.0000 ( 6022 PWs) bands (ev):
-7.1493 -7.1485 -6.9529 -6.9514 -6.7276 -6.7267 -6.6692 -6.6676
1.1947 1.2018 1.4028 1.4077 1.5465 1.5639 1.7890 1.8056
1.8875 1.9329 2.3050 2.3607 2.4007 2.4096 2.4738 2.4935
2.6486 2.6656 2.8285 2.8319 2.8764 2.8964 2.9415 2.9595
3.3959 3.4248 3.5739 3.6075 3.6927 3.7065 3.9046 3.9185
4.1138 4.1157 4.1591 4.1702 4.6055 4.6496 4.9490 4.9623
5.0345 5.0496 5.3854 5.3972 5.6331 5.6913 5.8937 5.9254
5.9276 5.9480 6.1414 6.1532 6.3115 6.3339 6.4887 6.5129
6.8429 6.8638 6.9488 6.9642 7.1233 7.1253 7.6476 7.6809
11.4644 11.4969
k = 0.5000 0.3273-0.0000 ( 6026 PWs) bands (ev):
-7.1334 -7.1326 -6.9423 -6.9408 -6.7441 -6.7432 -6.6798 -6.6781
1.1895 1.1956 1.3961 1.4007 1.5467 1.5606 1.8111 1.8255
1.8889 1.9317 2.3107 2.3652 2.3989 2.4058 2.4725 2.4891
2.6169 2.6370 2.8181 2.8210 2.8716 2.8879 2.9405 2.9574
3.4002 3.4278 3.5756 3.6087 3.6962 3.7098 3.8974 3.9104
4.1220 4.1231 4.1595 4.1695 4.5990 4.6415 4.9694 4.9811
5.0235 5.0366 5.3743 5.3864 5.6342 5.6901 5.8833 5.9316
5.9519 5.9586 6.1543 6.1652 6.3159 6.3352 6.5315 6.5542
6.8035 6.8197 6.9901 7.0077 7.1261 7.1277 7.6489 7.6822
11.4724 11.5047
k = 0.5000 0.3445-0.0000 ( 6016 PWs) bands (ev):
-7.1171 -7.1162 -6.9315 -6.9300 -6.7610 -6.7601 -6.6906 -6.6889
1.1846 1.1899 1.3898 1.3940 1.5458 1.5568 1.8319 1.8455
1.8941 1.9329 2.3166 2.3690 2.3978 2.4024 2.4713 2.4841
2.5845 2.6082 2.8077 2.8104 2.8668 2.8794 2.9410 2.9562
3.4044 3.4304 3.5775 3.6095 3.6997 3.7130 3.8906 3.9025
4.1296 4.1299 4.1602 4.1688 4.5915 4.6315 4.9884 4.9948
5.0197 5.0265 5.3633 5.3756 5.6357 5.6890 5.8731 5.9206
5.9803 5.9859 6.1665 6.1764 6.3188 6.3353 6.5692 6.5881
6.7710 6.7807 7.0328 7.0524 7.1264 7.1310 7.6478 7.6809
11.4570 11.4967
k = 0.5000 0.3617-0.0000 ( 6016 PWs) bands (ev):
-7.1004 -7.0995 -6.9205 -6.9189 -6.7783 -6.7773 -6.7016 -6.6998
1.1802 1.1846 1.3837 1.3875 1.5441 1.5527 1.8480 1.8629
1.9061 1.9385 2.3226 2.3717 2.3972 2.3996 2.4700 2.4782
2.5518 2.5798 2.7976 2.8003 2.8621 2.8714 2.9422 2.9555
3.4085 3.4324 3.5796 3.6100 3.7031 3.7159 3.8842 3.8948
4.1358 4.1365 4.1611 4.1681 4.5833 4.6201 4.9980 5.0056
5.0196 5.0278 5.3527 5.3650 5.6378 5.6878 5.8636 5.9090
6.0103 6.0151 6.1778 6.1867 6.3206 6.3344 6.5934 6.6037
6.7550 6.7559 7.0765 7.0972 7.1255 7.1329 7.6441 7.6769
11.4375 11.4735
k = 0.5000 0.3789-0.0000 ( 6024 PWs) bands (ev):
-7.0834 -7.0825 -6.9094 -6.9078 -6.7958 -6.7948 -6.7127 -6.7109
1.1762 1.1800 1.3782 1.3815 1.5419 1.5484 1.8574 1.8750
1.9263 1.9509 2.3285 2.3727 2.3971 2.3975 2.4679 2.4709
2.5199 2.5531 2.7882 2.7909 2.8576 2.8643 2.9437 2.9552
3.4123 3.4340 3.5820 3.6100 3.7064 3.7184 3.8783 3.8876
4.1408 4.1426 4.1624 4.1675 4.5749 4.6080 4.9965 5.0110
5.0250 5.0413 5.3425 5.3546 5.6402 5.6865 5.8553 5.8978
6.0413 6.0456 6.1882 6.1962 6.3213 6.3327 6.5916 6.5917
6.7549 6.7676 7.1201 7.1230 7.1294 7.1451 7.6379 7.6700
11.4184 11.4513
k = 0.5000 0.3962-0.0000 ( 6028 PWs) bands (ev):
-7.0662 -7.0653 -6.8983 -6.8967 -6.8133 -6.8123 -6.7238 -6.7220
1.1728 1.1759 1.3732 1.3761 1.5394 1.5443 1.8625 1.8811
1.9519 1.9702 2.3345 2.3714 2.3963 2.3975 2.4610 2.4616
2.4928 2.5298 2.7797 2.7823 2.8535 2.8582 2.9454 2.9550
3.4159 3.4351 3.5845 3.6097 3.7097 3.7207 3.8730 3.8810
4.1449 4.1477 4.1639 4.1672 4.5670 4.5958 4.9951 5.0076
5.0396 5.0548 5.3330 5.3446 5.6431 5.6849 5.8483 5.8870
6.0735 6.0771 6.1976 6.2047 6.3212 6.3305 6.5611 6.5657
6.7782 6.7966 7.1184 7.1281 7.1632 7.1872 7.6293 7.6605
11.4018 11.4318
k = 0.5000 0.4134-0.0000 ( 6022 PWs) bands (ev):
-7.0491 -7.0483 -6.8874 -6.8859 -6.8307 -6.8298 -6.7346 -6.7330
1.1699 1.1724 1.3688 1.3713 1.5370 1.5405 1.8656 1.8831
1.9798 1.9937 2.3404 2.3678 2.3954 2.3982 2.4416 2.4479
2.4803 2.5120 2.7722 2.7748 2.8498 2.8530 2.9470 2.9550
3.4194 3.4357 3.5872 3.6091 3.7127 3.7225 3.8685 3.8750
4.1480 4.1517 4.1656 4.1671 4.5598 4.5842 4.9946 5.0048
5.0533 5.0669 5.3245 5.3352 5.6465 5.6830 5.8428 5.8769
6.1067 6.1097 6.2062 6.2122 6.3206 6.3279 6.5235 6.5290
6.8112 6.8313 7.1117 7.1229 7.2048 7.2285 7.6187 7.6484
11.3888 11.4159
k = 0.5000 0.4306-0.0000 ( 6028 PWs) bands (ev):
-7.0324 -7.0316 -6.8769 -6.8754 -6.8477 -6.8467 -6.7450 -6.7435
1.1676 1.1695 1.3652 1.3672 1.5347 1.5372 1.8680 1.8830
2.0078 2.0185 2.3461 2.3617 2.3937 2.3989 2.4138 2.4329
2.4777 2.5000 2.7660 2.7683 2.8467 2.8488 2.9486 2.9549
3.4225 3.4358 3.5899 3.6080 3.7156 3.7238 3.8647 3.8699
4.1504 4.1544 4.1674 4.1676 4.5539 4.5736 4.9946 5.0027
5.0655 5.0771 5.3172 5.3266 5.6501 5.6806 5.8390 5.8676
6.1405 6.1427 6.2136 6.2186 6.3196 6.3252 6.4839 6.4890
6.8461 6.8658 7.1031 7.1151 7.2438 7.2665 7.6069 7.6342
11.3800 11.4041
k = 0.5000 0.4478-0.0000 ( 6024 PWs) bands (ev):
-7.0166 -7.0158 -6.8673 -6.8662 -6.8635 -6.8624 -6.7546 -6.7532
1.1658 1.1672 1.3624 1.3639 1.5328 1.5345 1.8701 1.8819
2.0341 2.0422 2.3516 2.3532 2.3857 2.3901 2.4009 2.4201
2.4776 2.4924 2.7611 2.7630 2.8443 2.8455 2.9500 2.9547
3.4254 3.4355 3.5927 3.6067 3.7182 3.7246 3.8618 3.8657
4.1523 4.1559 4.1685 4.1689 4.5495 4.5644 4.9952 5.0011
5.0758 5.0851 5.3114 5.3190 5.6540 5.6777 5.8370 5.8593
6.1744 6.1758 6.2199 6.2237 6.3185 6.3226 6.4448 6.4491
6.8792 6.8972 7.0931 7.1051 7.2791 7.2994 7.5951 7.6188
11.3756 11.3960
k = 0.5000 0.4651-0.0000 ( 6032 PWs) bands (ev):
-7.0027 -7.0020 -6.8777 -6.8770 -6.8588 -6.8577 -6.7626 -6.7615
1.1646 1.1655 1.3604 1.3614 1.5314 1.5324 1.8721 1.8802
2.0567 2.0622 2.3434 2.3542 2.3652 2.3842 2.4021 2.4122
2.4783 2.4875 2.7577 2.7590 2.8425 2.8432 2.9513 2.9544
3.4279 3.4348 3.5954 3.6049 3.7204 3.7248 3.8598 3.8623
4.1537 4.1564 4.1695 4.1701 4.5469 4.5569 4.9960 4.9999
5.0839 5.0904 5.3075 5.3129 5.6582 5.6744 5.8367 5.8520
6.2068 6.2076 6.2250 6.2274 6.3177 6.3204 6.4085 6.4117
6.9081 6.9227 7.0833 7.0937 7.3088 7.3247 7.5852 7.6034
11.3753 11.3910
k = 0.5000 0.4823-0.0000 ( 6032 PWs) bands (ev):
-6.9924 -6.9920 -6.8878 -6.8874 -6.8529 -6.8523 -6.7681 -6.7674
1.1639 1.1644 1.3593 1.3598 1.5306 1.5311 1.8741 1.8782
2.0728 2.0756 2.3357 2.3426 2.3655 2.3775 2.4037 2.4080
2.4797 2.4840 2.7558 2.7565 2.8414 2.8417 2.9524 2.9539
3.4302 3.4336 3.5980 3.6028 3.7222 3.7245 3.8589 3.8601
4.1548 4.1562 4.1704 4.1708 4.5463 4.5513 4.9969 4.9988
5.0897 5.0931 5.3056 5.3084 5.6624 5.6706 5.8382 5.8460
6.2271 6.2287 6.2351 6.2353 6.3171 6.3186 6.3793 6.3811
6.9301 6.9387 7.0765 7.0830 7.3305 7.3395 7.5799 7.5900
11.3783 11.3871
k = 0.5000 0.4995-0.0000 ( 6024 PWs) bands (ev):
-6.9883 -6.9883 -6.8915 -6.8915 -6.8505 -6.8505 -6.7698 -6.7698
1.1639 1.1639 1.3591 1.3591 1.5305 1.5305 1.8762 1.8762
2.0796 2.0796 2.3347 2.3347 2.3711 2.3711 2.4055 2.4055
2.4815 2.4815 2.7554 2.7554 2.8412 2.8412 2.9532 2.9532
3.4321 3.4321 3.6006 3.6006 3.7236 3.7236 3.8590 3.8590
4.1556 4.1556 4.1709 4.1709 4.5478 4.5478 4.9979 4.9979
5.0928 5.0928 5.3059 5.3059 5.6666 5.6666 5.8413 5.8413
6.2292 6.2292 6.2469 6.2469 6.3173 6.3173 6.3673 6.3673
6.9414 6.9414 7.0762 7.0762 7.3415 7.3415 7.5815 7.5815
11.3828 11.3828
k = 0.5000 0.4995-0.0000 ( 6024 PWs) bands (ev):
-6.9883 -6.9883 -6.8915 -6.8915 -6.8505 -6.8505 -6.7698 -6.7698
1.1639 1.1639 1.3591 1.3591 1.5305 1.5305 1.8762 1.8762
2.0796 2.0796 2.3347 2.3347 2.3711 2.3711 2.4055 2.4055
2.4815 2.4815 2.7554 2.7554 2.8412 2.8412 2.9532 2.9532
3.4321 3.4321 3.6006 3.6006 3.7236 3.7236 3.8590 3.8590
4.1556 4.1556 4.1709 4.1709 4.5478 4.5478 4.9979 4.9979
5.0928 5.0928 5.3059 5.3059 5.6666 5.6666 5.8413 5.8413
6.2292 6.2292 6.2469 6.2469 6.3173 6.3173 6.3673 6.3673
6.9414 6.9414 7.0762 7.0762 7.3415 7.3415 7.5815 7.5815
11.3828 11.3828
k = 0.4828 0.4995-0.0000 ( 6024 PWs) bands (ev):
-6.9910 -6.9906 -6.8932 -6.8930 -6.8483 -6.8479 -6.7684 -6.7681
1.1642 1.1643 1.3590 1.3597 1.5300 1.5314 1.8751 1.8780
2.0714 2.0790 2.3314 2.3376 2.3740 2.3744 2.4051 2.4093
2.4802 2.4822 2.7561 2.7565 2.8409 2.8428 2.9515 2.9554
3.4304 3.4331 3.5956 3.6061 3.7224 3.7244 3.8578 3.8609
4.1552 4.1560 4.1684 4.1732 4.5466 4.5483 4.9971 4.9984
5.0920 5.0925 5.3049 5.3050 5.6660 5.6674 5.8411 5.8415
6.2251 6.2259 6.2438 6.2457 6.3172 6.3223 6.3699 6.3734
6.9399 6.9405 7.0743 7.0753 7.3405 7.3407 7.5802 7.5808
11.3814 11.3871
k = 0.4655 0.4995-0.0000 ( 6024 PWs) bands (ev):
-6.9980 -6.9973 -6.8979 -6.8974 -6.8415 -6.8408 -6.7639 -6.7633
1.1654 1.1656 1.3593 1.3608 1.5300 1.5328 1.8747 1.8805
2.0560 2.0700 2.3277 2.3400 2.3795 2.3821 2.4084 2.4193
2.4784 2.4823 2.7588 2.7594 2.8418 2.8455 2.9501 2.9580
3.4281 3.4334 3.5913 3.6122 3.7209 3.7248 3.8576 3.8638
4.1545 4.1562 4.1660 4.1754 4.5448 4.5482 4.9960 4.9986
5.0900 5.0908 5.3020 5.3022 5.6657 5.6684 5.8407 5.8417
6.2152 6.2159 6.2377 6.2402 6.3218 6.3307 6.3806 6.3867
6.9358 6.9370 7.0696 7.0715 7.3377 7.3380 7.5767 7.5779
11.3828 11.3941
k = 0.4483 0.4995-0.0000 ( 6020 PWs) bands (ev):
-7.0082 -7.0073 -6.9050 -6.9042 -6.8314 -6.8304 -6.7571 -6.7563
1.1674 1.1676 1.3599 1.3623 1.5305 1.5347 1.8748 1.8835
2.0356 2.0548 2.3236 2.3418 2.3822 2.3887 2.4202 2.4372
2.4765 2.4820 2.7636 2.7639 2.8442 2.8495 2.9493 2.9611
3.4252 3.4329 3.5876 3.6187 3.7190 3.7249 3.8581 3.8674
4.1536 4.1562 4.1636 4.1774 4.5424 4.5476 4.9947 4.9984
5.0868 5.0879 5.2971 5.2973 5.6655 5.6696 5.8403 5.8417
6.2016 6.2021 6.2300 6.2319 6.3299 6.3411 6.3972 6.4047
6.9294 6.9313 7.0622 7.0651 7.3330 7.3336 7.5711 7.5729
11.3867 11.4038
k = 0.4310 0.4995-0.0000 ( 6028 PWs) bands (ev):
-7.0206 -7.0196 -6.9137 -6.9128 -6.8190 -6.8179 -6.7485 -6.7475
1.1702 1.1703 1.3608 1.3641 1.5314 1.5369 1.8755 1.8869
2.0125 2.0356 2.3191 2.3429 2.3826 2.3904 2.4405 2.4594
2.4756 2.4831 2.7698 2.7705 2.8479 2.8545 2.9490 2.9645
3.4217 3.4315 3.5846 3.6256 3.7166 3.7246 3.8595 3.8717
4.1521 4.1560 4.1614 4.1792 4.5393 4.5463 4.9931 4.9979
5.0824 5.0837 5.2902 5.2904 5.6651 5.6707 5.8396 5.8415
6.1851 6.1876 6.2218 6.2220 6.3401 6.3527 6.4176 6.4258
6.9207 6.9234 7.0523 7.0564 7.3266 7.3273 7.5634 7.5658
11.3930 11.4156
k = 0.4138 0.4995-0.0000 ( 6026 PWs) bands (ev):
-7.0344 -7.0333 -6.9235 -6.9225 -6.8051 -6.8039 -6.7387 -6.7377
1.1738 1.1739 1.3619 1.3661 1.5328 1.5395 1.8762 1.8902
1.9888 2.0151 2.3143 2.3432 2.3817 2.3897 2.4578 2.4713
2.4831 2.4976 2.7769 2.7795 2.8532 2.8605 2.9491 2.9684
3.4178 3.4292 3.5823 3.6329 3.7138 3.7241 3.8618 3.8768
4.1499 4.1557 4.1596 4.1809 4.5358 4.5446 4.9913 4.9969
5.0770 5.0781 5.2812 5.2813 5.6645 5.6716 5.8386 5.8410
6.1680 6.1732 6.2115 6.2136 6.3518 6.3650 6.4406 6.4488
6.9102 6.9137 7.0405 7.0457 7.3186 7.3193 7.5537 7.5566
11.4010 11.4290
k = 0.3966 0.4995-0.0000 ( 6028 PWs) bands (ev):
-7.0489 -7.0478 -6.9340 -6.9330 -6.7904 -6.7891 -6.7282 -6.7271
1.1782 1.1782 1.3628 1.3683 1.5345 1.5425 1.8762 1.8926
1.9664 1.9953 2.3091 2.3427 2.3802 2.3879 2.4604 2.4708
2.5078 2.5256 2.7850 2.7907 2.8600 2.8676 2.9498 2.9726
3.4135 3.4261 3.5807 3.6406 3.7106 3.7232 3.8648 3.8826
4.1471 4.1551 4.1582 4.1823 4.5318 4.5425 4.9891 4.9953
5.0704 5.0710 5.2699 5.2700 5.6635 5.6722 5.8372 5.8401
6.1512 6.1596 6.2010 6.2057 6.3644 6.3778 6.4654 6.4732
6.8980 6.9025 7.0270 7.0333 7.3089 7.3097 7.5419 7.5452
11.4102 11.4434
k = 0.3793 0.4995-0.0000 ( 6024 PWs) bands (ev):
-7.0638 -7.0627 -6.9449 -6.9439 -6.7753 -6.7740 -6.7172 -6.7161
1.1832 1.1835 1.3636 1.3703 1.5366 1.5456 1.8739 1.8928
1.9478 1.9787 2.3038 2.3415 2.3785 2.3855 2.4582 2.4680
2.5384 2.5560 2.7939 2.8041 2.8685 2.8755 2.9511 2.9772
3.4089 3.4222 3.5796 3.6485 3.7068 3.7220 3.8686 3.8890
4.1437 4.1543 4.1569 4.1835 4.5275 4.5401 4.9865 4.9930
5.0627 5.0629 5.2562 5.2565 5.6619 5.6720 5.8354 5.8386
6.1356 6.1474 6.1910 6.1986 6.3779 6.3911 6.4917 6.4988
6.8845 6.8900 7.0124 7.0199 7.2977 7.2985 7.5281 7.5319
11.4200 11.4575
k = 0.3621 0.4995-0.0000 ( 6020 PWs) bands (ev):
-7.0789 -7.0777 -6.9560 -6.9550 -6.7599 -6.7586 -6.7061 -6.7050
1.1890 1.1896 1.3639 1.3720 1.5390 1.5489 1.8669 1.8886
1.9359 1.9682 2.2983 2.3395 2.3768 2.3828 2.4551 2.4646
2.5700 2.5863 2.8036 2.8197 2.8789 2.8843 2.9530 2.9822
3.4039 3.4175 3.5791 3.6567 3.7026 3.7205 3.8732 3.8961
4.1400 4.1532 4.1557 4.1844 4.5229 4.5375 4.9830 4.9896
5.0531 5.0546 5.2400 5.2407 5.6595 5.6708 5.8330 5.8364
6.1217 6.1370 6.1820 6.1926 6.3920 6.4047 6.5190 6.5252
6.8700 6.8767 6.9970 7.0058 7.2851 7.2858 7.5124 7.5166
11.4294 11.4703
k = 0.3448 0.4995-0.0000 ( 6020 PWs) bands (ev):
-7.0938 -7.0927 -6.9671 -6.9661 -6.7447 -6.7434 -6.6949 -6.6938
1.1954 1.1964 1.3635 1.3733 1.5417 1.5523 1.8545 1.8792
1.9320 1.9650 2.2927 2.3367 2.3753 2.3800 2.4517 2.4608
2.6013 2.6157 2.8137 2.8377 2.8911 2.8938 2.9555 2.9875
3.3986 3.4121 3.5789 3.6650 3.6978 3.7188 3.8784 3.9036
4.1359 4.1518 4.1543 4.1849 4.5180 4.5347 4.9785 4.9846
5.0428 5.0461 5.2214 5.2224 5.6561 5.6684 5.8300 5.8334
6.1100 6.1287 6.1743 6.1877 6.4066 6.4186 6.5473 6.5524
6.8550 6.8628 6.9815 6.9914 7.2712 7.2718 7.4949 7.4993
11.4375 11.4803
k = 0.3276 0.4995-0.0000 ( 6022 PWs) bands (ev):
-7.1085 -7.1075 -6.9781 -6.9771 -6.7296 -6.7283 -6.6838 -6.6827
1.2023 1.2040 1.3624 1.3739 1.5445 1.5557 1.8389 1.8661
1.9340 1.9679 2.2870 2.3333 2.3740 2.3772 2.4483 2.4568
2.6316 2.6434 2.8243 2.8578 2.9039 2.9054 2.9587 2.9933
3.3931 3.4060 3.5791 3.6733 3.6927 3.7171 3.8841 3.9115
4.1317 4.1502 4.1526 4.1849 4.5129 4.5319 4.9721 4.9776
5.0324 5.0379 5.2003 5.2017 5.6516 5.6644 5.8264 5.8294
6.1008 6.1228 6.1683 6.1843 6.4216 6.4328 6.5764 6.5802
6.8398 6.8488 6.9661 6.9771 7.2561 7.2564 7.4756 7.4803
11.4436 11.4861
k = 0.3103 0.4995-0.0000 ( 6022 PWs) bands (ev):
-7.1230 -7.1219 -6.9889 -6.9879 -6.7148 -6.7135 -6.6729 -6.6719
1.2098 1.2122 1.3604 1.3737 1.5475 1.5590 1.8229 1.8518
1.9397 1.9748 2.2813 2.3294 2.3730 2.3748 2.4448 2.4529
2.6602 2.6691 2.8352 2.8798 2.9147 2.9218 2.9629 2.9994
3.3874 3.3994 3.5793 3.6802 3.6884 3.7152 3.8904 3.9198
4.1274 4.1482 4.1505 4.1846 4.5078 4.5291 4.9629 4.9678
5.0229 5.0305 5.1769 5.1787 5.6460 5.6588 5.8221 5.8243
6.0945 6.1192 6.1642 6.1825 6.4371 6.4473 6.6060 6.6086
6.8248 6.8349 6.9514 6.9634 7.2399 7.2400 7.4548 7.4596
11.4467 11.4870
k = 0.2931 0.4995-0.0000 ( 6026 PWs) bands (ev):
-7.1370 -7.1359 -6.9994 -6.9985 -6.7003 -6.6991 -6.6623 -6.6612
1.2177 1.2211 1.3575 1.3726 1.5506 1.5622 1.8078 1.8378
1.9476 1.9840 2.2756 2.3250 2.3723 2.3726 2.4413 2.4490
2.6869 2.6926 2.8463 2.9030 2.9262 2.9402 2.9685 3.0061
3.3815 3.3923 3.5794 3.6778 3.6928 3.7134 3.8970 3.9282
4.1231 4.1460 4.1480 4.1837 4.5026 4.5263 4.9501 4.9548
5.0151 5.0245 5.1512 5.1534 5.6393 5.6517 5.8172 5.8184
6.0910 6.1180 6.1621 6.1822 6.4529 6.4620 6.6360 6.6372
6.8104 6.8215 6.9377 6.9505 7.2226 7.2229 7.4325 7.4374
11.4465 11.4826
k = 0.2759 0.4995-0.0000 ( 6028 PWs) bands (ev):
-7.1505 -7.1495 -7.0096 -7.0087 -6.6864 -6.6852 -6.6520 -6.6510
1.2258 1.2304 1.3535 1.3706 1.5537 1.5653 1.7944 1.8249
1.9569 1.9947 2.2700 2.3204 2.3710 2.3720 2.4379 2.4452
2.7113 2.7138 2.8577 2.9253 2.9388 2.9601 2.9765 3.0136
3.3754 3.3848 3.5792 3.6708 3.7012 3.7119 3.9038 3.9367
4.1189 4.1435 4.1450 4.1824 4.4974 4.5236 4.9335 4.9390
5.0092 5.0197 5.1237 5.1262 5.6317 5.6432 5.8115 5.8118
6.0902 6.1190 6.1621 6.1836 6.4690 6.4770 6.6660 6.6661
6.7969 6.8090 6.9253 6.9387 7.2043 7.2050 7.4089 7.4138
11.4428 11.4731
k = 0.2586 0.4995-0.0000 ( 6016 PWs) bands (ev):
-7.1634 -7.1625 -7.0194 -7.0186 -6.6730 -6.6719 -6.6421 -6.6411
1.2339 1.2400 1.3487 1.3678 1.5568 1.5681 1.7831 1.8136
1.9674 2.0065 2.2645 2.3155 2.3700 2.3720 2.4345 2.4415
2.7331 2.7334 2.8692 2.9428 2.9532 2.9808 2.9898 3.0225
3.3693 3.3771 3.5785 3.6628 3.7100 3.7107 3.9109 3.9451
4.1149 4.1407 4.1416 4.1807 4.4922 4.5210 4.9138 4.9206
5.0050 5.0160 5.0947 5.0972 5.6234 5.6336 5.8040 5.8058
6.0921 6.1219 6.1641 6.1866 6.4853 6.4922 6.6945 6.6960
6.7850 6.7976 6.9145 6.9283 7.1853 7.1865 7.3842 7.3890
11.4354 11.4592
k = 0.2414 0.4995-0.0000 ( 6018 PWs) bands (ev):
-7.1758 -7.1749 -7.0288 -7.0280 -6.6602 -6.6591 -6.6326 -6.6317
1.2419 1.2497 1.3433 1.3644 1.5598 1.5707 1.7739 1.8039
1.9787 2.0188 2.2592 2.3106 2.3696 2.3722 2.4311 2.4381
2.7504 2.7532 2.8808 2.9560 2.9656 3.0001 3.0109 3.0347
3.3631 3.3692 3.5769 3.6538 3.7101 3.7188 3.9179 3.9530
4.1111 4.1376 4.1377 4.1787 4.4868 4.5183 4.8917 4.9002
5.0018 5.0129 5.0645 5.0671 5.6145 5.6232 5.7960 5.7993
6.0963 6.1265 6.1680 6.1909 6.5016 6.5075 6.7214 6.7247
6.7760 6.7883 6.9056 6.9194 7.1657 7.1674 7.3585 7.3632
11.4245 11.4412
k = 0.2241 0.4995-0.0000 ( 6010 PWs) bands (ev):
-7.1874 -7.1866 -7.0377 -7.0369 -6.6481 -6.6471 -6.6236 -6.6227
1.2493 1.2591 1.3375 1.3608 1.5627 1.5731 1.7667 1.7958
1.9905 2.0316 2.2541 2.3057 2.3700 2.3729 2.4279 2.4350
2.7660 2.7709 2.8925 2.9679 2.9749 3.0149 3.0375 3.0526
3.3570 3.3613 3.5744 3.6440 3.7103 3.7276 3.9246 3.9604
4.1077 4.1336 4.1342 4.1763 4.4814 4.5156 4.8678 4.8784
4.9992 5.0100 5.0340 5.0364 5.6053 5.6124 5.7878 5.7926
6.1024 6.1325 6.1735 6.1964 6.5180 6.5228 6.7406 6.7488
6.7758 6.7841 6.8990 6.9121 7.1457 7.1481 7.3321 7.3366
11.4102 11.4196
k = 0.2069 0.4995-0.0000 ( 6012 PWs) bands (ev):
-7.1984 -7.1977 -7.0460 -7.0453 -6.6367 -6.6357 -6.6151 -6.6143
1.2558 1.2679 1.3321 1.3574 1.5654 1.5752 1.7613 1.7891
2.0026 2.0443 2.2494 2.3008 2.3710 2.3737 2.4246 2.4321
2.7802 2.7865 2.9044 2.9791 2.9827 3.0254 3.0665 3.0757
3.3510 3.3534 3.5706 3.6333 3.7113 3.7361 3.9311 3.9669
4.1046 4.1296 4.1305 4.1739 4.4759 4.5125 4.8427 4.8556
4.9947 4.9994 5.0079 5.0114 5.5959 5.6015 5.7797 5.7857
6.1099 6.1394 6.1802 6.2027 6.5341 6.5381 6.7430 6.7571
6.7934 6.7957 6.8949 6.9064 7.1254 7.1286 7.3052 7.3093
11.3909 11.3938
k = 0.1897 0.4995-0.0000 ( 6004 PWs) bands (ev):
-7.2087 -7.2079 -7.0538 -7.0531 -6.6260 -6.6252 -6.6071 -6.6064
1.2609 1.2750 1.3280 1.3547 1.5680 1.5770 1.7576 1.7837
2.0148 2.0568 2.2452 2.2961 2.3727 2.3748 2.4215 2.4295
2.7932 2.8004 2.9163 2.9899 2.9901 3.0334 3.0965 3.1016
3.3450 3.3457 3.5655 3.6217 3.7134 3.7444 3.9372 3.9723
4.1018 4.1260 4.1265 4.1715 4.4701 4.5090 4.8173 4.8324
4.9705 4.9714 4.9988 5.0078 5.5867 5.5909 5.7718 5.7788
6.1187 6.1471 6.1879 6.2096 6.5499 6.5533 6.7388 6.7541
6.8179 6.8187 6.8942 6.9025 7.1051 7.1092 7.2779 7.2817
11.3329 11.3527
k = 0.1724 0.4995-0.0000 ( 5996 PWs) bands (ev):
-7.2181 -7.2175 -7.0610 -7.0604 -6.6162 -6.6154 -6.5998 -6.5991
1.2643 1.2791 1.3264 1.3533 1.5704 1.5787 1.7552 1.7794
2.0269 2.0688 2.2416 2.2915 2.3749 2.3761 2.4185 2.4272
2.8048 2.8126 2.9282 2.9972 3.0001 3.0403 3.1265 3.1287
3.3382 3.3392 3.5590 3.6093 3.7164 3.7523 3.9426 3.9764
4.0989 4.1222 4.1234 4.1693 4.4640 4.5048 4.7921 4.8092
4.9411 4.9420 4.9971 5.0060 5.5777 5.5806 5.7644 5.7720
6.1282 6.1552 6.1962 6.2169 6.5652 6.5681 6.7344 6.7497
6.8388 6.8446 6.8984 6.9005 7.0849 7.0900 7.2506 7.2540
11.2601 11.2855
k = 0.1552 0.4995-0.0000 ( 6000 PWs) bands (ev):
-7.2268 -7.2262 -7.0676 -7.0671 -6.6072 -6.6065 -6.5930 -6.5925
1.2657 1.2795 1.3285 1.3535 1.5726 1.5800 1.7539 1.7760
2.0387 2.0800 2.2387 2.2872 2.3774 2.3777 2.4155 2.4251
2.8154 2.8233 2.9401 3.0042 3.0097 3.0463 3.1560 3.1563
3.3311 3.3337 3.5511 3.5960 3.7204 3.7596 3.9473 3.9789
4.0955 4.1175 4.1227 4.1674 4.4577 4.4996 4.7676 4.7864
4.9131 4.9136 4.9962 5.0044 5.5691 5.5709 5.7574 5.7654
6.1381 6.1633 6.2048 6.2242 6.5799 6.5825 6.7311 6.7460
6.8544 6.8695 6.9002 6.9090 7.0651 7.0713 7.2234 7.2263
11.1906 11.2161
k = 0.1379 0.4995-0.0000 ( 6000 PWs) bands (ev):
-7.2346 -7.2340 -7.0736 -7.0731 -6.5990 -6.5984 -6.5869 -6.5864
1.2652 1.2767 1.3335 1.3552 1.5746 1.5812 1.7534 1.7732
2.0501 2.0900 2.2367 2.2831 2.3789 2.3807 2.4128 2.4234
2.8249 2.8326 2.9518 3.0108 3.0187 3.0516 3.1832 3.1854
3.3245 3.3284 3.5418 3.5819 3.7253 3.7661 3.9512 3.9800
4.0914 4.1126 4.1239 4.1659 4.4511 4.4932 4.7447 4.7645
4.8873 4.8873 4.9956 5.0031 5.5610 5.5619 5.7512 5.7592
6.1480 6.1712 6.2134 6.2313 6.5939 6.5963 6.7293 6.7433
6.8647 6.8913 6.9030 6.9253 7.0459 7.0535 7.1967 7.1992
11.1264 11.1506
k = 0.1207 0.4995-0.0000 ( 6000 PWs) bands (ev):
-7.2415 -7.2410 -7.0789 -7.0784 -6.5918 -6.5912 -6.5815 -6.5811
1.2633 1.2722 1.3401 1.3581 1.5764 1.5821 1.7536 1.7710
2.0608 2.0985 2.2357 2.2792 2.3803 2.3840 2.4103 2.4219
2.8333 2.8406 2.9633 3.0170 3.0270 3.0563 3.2098 3.2136
3.3186 3.3234 3.5313 3.5670 3.7309 3.7717 3.9543 3.9798
4.0870 4.1075 4.1270 4.1649 4.4445 4.4856 4.7238 4.7438
4.8634 4.8640 4.9952 5.0018 5.5535 5.5538 5.7457 5.7534
6.1578 6.1787 6.2218 6.2380 6.6070 6.6094 6.7289 6.7418
6.8724 6.9011 6.9170 6.9437 7.0278 7.0371 7.1707 7.1728
11.0683 11.0906
k = 0.1034 0.4995-0.0000 ( 6002 PWs) bands (ev):
-7.2475 -7.2472 -7.0835 -7.0831 -6.5854 -6.5850 -6.5767 -6.5764
1.2605 1.2671 1.3471 1.3616 1.5780 1.5829 1.7542 1.7692
2.0708 2.1054 2.2359 2.2754 2.3817 2.3871 2.4082 2.4205
2.8407 2.8474 2.9745 3.0223 3.0346 3.0602 3.2355 3.2408
3.3135 3.3189 3.5199 3.5515 3.7370 3.7762 3.9568 3.9785
4.0825 4.1021 4.1315 4.1644 4.4379 4.4767 4.7055 4.7247
4.8425 4.8436 4.9949 5.0007 5.5466 5.5468 5.7410 5.7482
6.1670 6.1854 6.2296 6.2439 6.6189 6.6214 6.7298 6.7413
6.8795 6.9054 6.9343 6.9612 7.0116 7.0228 7.1458 7.1476
11.0171 11.0370
k = 0.0862 0.4995-0.0000 ( 6006 PWs) bands (ev):
-7.2527 -7.2524 -7.0874 -7.0871 -6.5800 -6.5797 -6.5726 -6.5723
1.2574 1.2622 1.3538 1.3652 1.5793 1.5834 1.7551 1.7677
2.0799 2.1105 2.2371 2.2718 2.3831 2.3899 2.4066 2.4193
2.8471 2.8530 2.9851 3.0265 3.0416 3.0633 3.2601 3.2664
3.3092 3.3147 3.5077 3.5354 3.7435 3.7794 3.9586 3.9766
4.0785 4.0967 4.1369 4.1643 4.4319 4.4668 4.6901 4.7076
4.8249 4.8264 4.9948 4.9997 5.5405 5.5409 5.7372 5.7435
6.1755 6.1912 6.2368 6.2491 6.6297 6.6322 6.7317 6.7416
6.8870 6.9100 6.9479 6.9736 7.0003 7.0116 7.1223 7.1243
10.9732 10.9903
k = 0.0690 0.4995-0.0000 ( 6004 PWs) bands (ev):
-7.2569 -7.2567 -7.0907 -7.0904 -6.5756 -6.5754 -6.5692 -6.5690
1.2544 1.2578 1.3598 1.3686 1.5806 1.5839 1.7563 1.7663
2.0881 2.1137 2.2392 2.2682 2.3845 2.3919 2.4059 2.4181
2.8525 2.8573 2.9951 3.0293 3.0479 3.0656 3.2831 3.2902
3.3058 3.3110 3.4953 3.5191 3.7501 3.7811 3.9602 3.9744
4.0753 4.0913 4.1426 4.1644 4.4268 4.4566 4.6778 4.6928
4.8107 4.8123 4.9948 4.9987 5.5354 5.5359 5.7342 5.7394
6.1830 6.1959 6.2431 6.2532 6.6391 6.6415 6.7344 6.7425
6.8949 6.9147 6.9559 6.9726 7.0019 7.0053 7.1010 7.1035
10.9370 10.9511
k = 0.0517 0.4995-0.0000 ( 5996 PWs) bands (ev):
-7.2602 -7.2600 -7.0932 -7.0930 -6.5722 -6.5720 -6.5665 -6.5664
1.2518 1.2542 1.3649 1.3713 1.5816 1.5841 1.7575 1.7650
2.0954 2.1152 2.2422 2.2647 2.3858 2.3926 2.4065 2.4169
2.8568 2.8605 3.0041 3.0305 3.0534 3.0669 3.3034 3.3038
3.3080 3.3112 3.4836 3.5031 3.7566 3.7814 3.9615 3.9722
4.0731 4.0861 4.1482 4.1644 4.4231 4.4465 4.6689 4.6805
4.7999 4.8014 4.9949 4.9979 5.5315 5.5320 5.7320 5.7361
6.1895 6.1993 6.2485 6.2562 6.6469 6.6490 6.7373 6.7435
6.9030 6.9186 6.9584 6.9645 7.0041 7.0100 7.0825 7.0861
10.9090 10.9198
k = 0.0345 0.4995-0.0000 ( 6000 PWs) bands (ev):
-7.2626 -7.2624 -7.0950 -7.0949 -6.5697 -6.5696 -6.5646 -6.5645
1.2499 1.2514 1.3690 1.3731 1.5824 1.5841 1.7588 1.7638
2.1016 2.1151 2.2457 2.2610 2.3872 2.3922 2.4080 2.4154
2.8601 2.8626 3.0121 3.0301 3.0581 3.0672 3.3020 3.3051
3.3219 3.3281 3.4738 3.4883 3.7629 3.7801 3.9628 3.9699
4.0722 4.0814 4.1533 4.1640 4.4212 4.4374 4.6630 4.6710
4.7924 4.7936 4.9952 4.9972 5.5287 5.5290 5.7307 5.7335
6.1947 6.2013 6.2527 6.2580 6.6528 6.6544 6.7402 6.7444
6.9106 6.9210 6.9579 6.9579 7.0056 7.0154 7.0686 7.0730
10.8894 10.8967
k = 0.0172 0.4995-0.0000 ( 6000 PWs) bands (ev):
-7.2640 -7.2639 -7.0960 -7.0960 -6.5683 -6.5682 -6.5634 -6.5634
1.2489 1.2495 1.3718 1.3738 1.5831 1.5839 1.7600 1.7625
2.1067 2.1136 2.2495 2.2573 2.3885 2.3912 2.4099 2.4138
2.8623 2.8636 3.0189 3.0280 3.0619 3.0665 3.3016 3.3032
3.3350 3.3389 3.4681 3.4761 3.7686 3.7774 3.9643 3.9678
4.0726 4.0774 4.1575 4.1628 4.4217 4.4299 4.6603 4.6644
4.7881 4.7888 4.9955 4.9965 5.5270 5.5272 5.7302 5.7316
6.1985 6.2019 6.2559 6.2585 6.6567 6.6576 6.7425 6.7446
6.9165 6.9214 6.9548 6.9565 7.0084 7.0159 7.0612 7.0645
10.8783 10.8820
k = 0.0000 0.4995-0.0000 ( 5942 PWs) bands (ev):
-7.2644 -7.2644 -7.0964 -7.0964 -6.5677 -6.5677 -6.5630 -6.5630
1.2488 1.2488 1.3735 1.3735 1.5836 1.5836 1.7614 1.7614
2.1107 2.1107 2.2534 2.2534 2.3899 2.3899 2.4120 2.4120
2.8636 2.8636 3.0242 3.0242 3.0648 3.0648 3.3021 3.3021
3.3413 3.3413 3.4689 3.4689 3.7736 3.7736 3.9660 3.9660
4.0745 4.0745 4.1608 4.1608 4.4247 4.4247 4.6609 4.6609
4.7871 4.7871 4.9961 4.9961 5.5267 5.5267 5.7307 5.7307
6.2011 6.2011 6.2580 6.2580 6.6584 6.6584 6.7441 6.7441
6.9201 6.9201 6.9551 6.9551 7.0124 7.0124 7.0605 7.0605
10.8758 10.8758
k = 0.0000 0.4995-0.0000 ( 5942 PWs) bands (ev):
-7.2644 -7.2644 -7.0964 -7.0964 -6.5677 -6.5677 -6.5630 -6.5630
1.2488 1.2488 1.3735 1.3735 1.5836 1.5836 1.7614 1.7614
2.1107 2.1107 2.2534 2.2534 2.3899 2.3899 2.4120 2.4120
2.8636 2.8636 3.0242 3.0242 3.0648 3.0648 3.3021 3.3021
3.3413 3.3413 3.4689 3.4689 3.7736 3.7736 3.9660 3.9660
4.0745 4.0745 4.1608 4.1608 4.4247 4.4247 4.6609 4.6609
4.7871 4.7871 4.9961 4.9961 5.5267 5.5267 5.7307 5.7307
6.2011 6.2011 6.2580 6.2580 6.6584 6.6584 6.7441 6.7441
6.9201 6.9201 6.9551 6.9551 7.0124 7.0124 7.0605 7.0605
10.8758 10.8758
k = 0.0000 0.4823-0.0000 ( 5988 PWs) bands (ev):
-7.2694 -7.2694 -7.0911 -7.0911 -6.5678 -6.5677 -6.5631 -6.5630
1.2443 1.2450 1.3699 1.3709 1.5774 1.5832 1.7622 1.7658
2.1153 2.1179 2.2561 2.2579 2.3894 2.3902 2.4116 2.4120
2.8630 2.8643 3.0236 3.0250 3.0647 3.0652 3.3019 3.3019
3.3407 3.3418 3.4672 3.4695 3.7732 3.7754 3.9659 3.9674
4.0741 4.0748 4.1603 4.1627 4.4225 4.4278 4.6586 4.6630
4.7868 4.7870 4.9958 4.9963 5.5248 5.5284 5.7306 5.7318
6.1995 6.2013 6.2569 6.2580 6.6463 6.6505 6.7409 6.7427
6.8861 6.9218 6.9635 6.9657 7.0185 7.0253 7.0560 7.0861
10.8708 10.8711
k = 0.0000 0.4651-0.0000 ( 5992 PWs) bands (ev):
-7.2828 -7.2828 -7.0770 -7.0770 -6.5679 -6.5677 -6.5632 -6.5630
1.2324 1.2336 1.3602 1.3624 1.5648 1.5755 1.7692 1.7758
2.1308 2.1358 2.2656 2.2695 2.3889 2.3906 2.4109 2.4117
2.8627 2.8654 3.0232 3.0261 3.0652 3.0661 3.3015 3.3016
3.3401 3.3421 3.4646 3.4692 3.7746 3.7790 3.9671 3.9702
4.0740 4.0754 4.1614 4.1663 4.4217 4.4322 4.6562 4.6650
4.7866 4.7870 4.9958 4.9969 5.5229 5.5302 5.7316 5.7340
6.1968 6.2005 6.2551 6.2573 6.6208 6.6248 6.7282 6.7360
6.8507 6.8927 6.9723 6.9982 7.0404 7.0446 7.0798 7.1236
10.8563 10.8568
k = 0.0000 0.4478-0.0000 ( 5992 PWs) bands (ev):
-7.3016 -7.3015 -7.0569 -7.0569 -6.5681 -6.5677 -6.5634 -6.5630
1.2140 1.2154 1.3449 1.3486 1.5462 1.5605 1.7829 1.7914
2.1556 2.1629 2.2814 2.2874 2.3884 2.3913 2.4099 2.4111
2.8626 2.8667 3.0230 3.0274 3.0663 3.0675 3.3009 3.3010
3.3394 3.3424 3.4612 3.4680 3.7775 3.7842 3.9697 3.9743
4.0741 4.0762 4.1641 4.1715 4.4222 4.4378 4.6537 4.6668
4.7864 4.7869 4.9960 4.9976 5.5212 5.5320 5.7338 5.7372
6.1930 6.1985 6.2526 6.2559 6.5879 6.5884 6.7051 6.7206
6.8153 6.8605 6.9878 7.0344 7.0637 7.0771 7.1179 7.1679
10.8324 10.8332
k = 0.0000 0.4306-0.0000 ( 5990 PWs) bands (ev):
-7.3233 -7.3233 -7.0334 -7.0334 -6.5682 -6.5678 -6.5636 -6.5631
1.1906 1.1919 1.3251 1.3304 1.5226 1.5390 1.8030 1.8122
2.1875 2.1968 2.3022 2.3107 2.3881 2.3928 2.4086 2.4106
2.8628 2.8683 3.0229 3.0289 3.0680 3.0695 3.3001 3.3001
3.3386 3.3427 3.4570 3.4659 3.7820 3.7910 3.9736 3.9797
4.0743 4.0772 4.1683 4.1783 4.4239 4.4444 4.6511 4.6686
4.7861 4.7868 4.9965 4.9986 5.5196 5.5338 5.7369 5.7413
6.1880 6.1953 6.2494 6.2538 6.5463 6.5508 6.6747 6.6977
6.7801 6.8274 7.0127 7.0709 7.0957 7.1119 7.1619 7.2164
10.7997 10.8006
k = 0.0000 0.4134-0.0000 ( 6002 PWs) bands (ev):
-7.3466 -7.3466 -7.0079 -7.0078 -6.5684 -6.5678 -6.5638 -6.5633
1.1634 1.1644 1.3015 1.3084 1.4951 1.5127 1.8280 1.8373
2.2244 2.2358 2.3255 2.3371 2.3892 2.3969 2.4070 2.4104
2.8632 2.8700 3.0227 3.0303 3.0705 3.0721 3.2989 3.2990
3.3378 3.3428 3.4520 3.4631 3.7880 3.7992 3.9788 3.9863
4.0746 4.0785 4.1738 4.1866 4.4269 4.4521 4.6484 4.6700
4.7859 4.7865 4.9971 4.9997 5.5182 5.5356 5.7411 5.7463
6.1820 6.1908 6.2454 6.2510 6.5011 6.5110 6.6406 6.6700
6.7451 6.7940 7.0440 7.1078 7.1332 7.1480 7.2095 7.2676
10.7584 10.7595
k = 0.0000 0.3962-0.0000 ( 6002 PWs) bands (ev):
-7.3706 -7.3705 -6.9813 -6.9812 -6.5686 -6.5679 -6.5641 -6.5634
1.1336 1.1342 1.2752 1.2836 1.4652 1.4833 1.8567 1.8656
2.2644 2.2783 2.3463 2.3605 2.3945 2.4052 2.4076 2.4135
2.8638 2.8720 3.0224 3.0318 3.0737 3.0754 3.2976 3.2977
3.3369 3.3428 3.4464 3.4594 3.7954 3.8089 3.9852 3.9942
4.0752 4.0801 4.1808 4.1963 4.4311 4.4607 4.6456 4.6714
4.7856 4.7862 4.9980 5.0009 5.5173 5.5376 5.7461 5.7521
6.1748 6.1850 6.2408 6.2476 6.4545 6.4695 6.6053 6.6400
6.7104 6.7606 7.0791 7.1452 7.1735 7.1850 7.2594 7.3204
10.7088 10.7099
k = 0.0000 0.3789-0.0000 ( 5990 PWs) bands (ev):
-7.3946 -7.3946 -6.9541 -6.9540 -6.5688 -6.5681 -6.5644 -6.5636
1.1021 1.1023 1.2470 1.2565 1.4339 1.4520 1.8877 1.8961
2.3056 2.3230 2.3586 2.3712 2.4002 2.4034 2.4304 2.4333
2.8645 2.8740 3.0219 3.0331 3.0778 3.0794 3.2960 3.2962
3.3360 3.3428 3.4402 3.4552 3.8042 3.8199 3.9928 4.0033
4.0758 4.0822 4.1890 4.2074 4.4366 4.4703 4.6427 4.6726
4.7854 4.7859 4.9991 5.0024 5.5168 5.5399 5.7520 5.7585
6.1665 6.1780 6.2355 6.2435 6.4071 6.4267 6.5703 6.6092
6.6761 6.7272 7.1163 7.1832 7.2152 7.2229 7.3111 7.3743
10.6510 10.6522
k = 0.0000 0.3617-0.0000 ( 5994 PWs) bands (ev):
-7.4185 -7.4185 -6.9267 -6.9267 -6.5691 -6.5682 -6.5647 -6.5639
1.0693 1.0695 1.2175 1.2279 1.4020 1.4198 1.9201 1.9279
2.3437 2.3611 2.3707 2.3776 2.4006 2.4017 2.4635 2.4696
2.8654 2.8762 3.0213 3.0344 3.0827 3.0841 3.2941 3.2945
3.3351 3.3428 3.4334 3.4502 3.8140 3.8320 4.0015 4.0137
4.0766 4.0849 4.1985 4.2197 4.4433 4.4808 4.6397 4.6735
4.7852 4.7854 5.0004 5.0039 5.5168 5.5424 5.7585 5.7655
6.1572 6.1696 6.2296 6.2390 6.3596 6.3830 6.5363 6.5782
6.6421 6.6938 7.1547 7.2217 7.2574 7.2615 7.3638 7.4286
10.5853 10.5866
k = 0.0000 0.3445-0.0000 ( 6006 PWs) bands (ev):
-7.4419 -7.4419 -6.8994 -6.8994 -6.5694 -6.5684 -6.5651 -6.5641
1.0358 1.0364 1.1875 1.1984 1.3701 1.3873 1.9532 1.9603
2.3605 2.3630 2.3970 2.3970 2.4058 2.4188 2.5024 2.5119
2.8663 2.8784 3.0204 3.0355 3.0885 3.0893 3.2919 3.2925
3.3342 3.3426 3.4263 3.4448 3.8249 3.8452 4.0110 4.0252
4.0774 4.0882 4.2090 4.2330 4.4510 4.4920 4.6366 4.6741
4.7849 4.7852 5.0019 5.0056 5.5175 5.5454 5.7656 5.7729
6.1467 6.1599 6.2232 6.2339 6.3124 6.3387 6.5040 6.5477
6.6085 6.6606 7.1934 7.2606 7.2997 7.3010 7.4171 7.4830
10.5122 10.5134
k = 0.0000 0.3273-0.0000 ( 6006 PWs) bands (ev):
-7.4648 -7.4648 -6.8724 -6.8724 -6.5696 -6.5686 -6.5655 -6.5644
1.0024 1.0032 1.1572 1.1685 1.3386 1.3551 1.9864 1.9930
2.3615 2.3621 2.3957 2.3970 2.4447 2.4646 2.5444 2.5572
2.8675 2.8807 3.0195 3.0366 3.0950 3.0950 3.2895 3.2904
3.3334 3.3425 3.4190 3.4389 3.8367 3.8594 4.0213 4.0378
4.0785 4.0927 4.2205 4.2472 4.4599 4.5040 4.6333 4.6746
4.7844 4.7853 5.0037 5.0074 5.5190 5.5490 5.7732 5.7807
6.1353 6.1490 6.2164 6.2284 6.2658 6.2942 6.4735 6.5181
6.5753 6.6275 7.2323 7.2999 7.3413 7.3417 7.4708 7.5372
10.4323 10.4336
k = 0.0000 0.3100-0.0000 ( 6002 PWs) bands (ev):
-7.4870 -7.4869 -6.8459 -6.8459 -6.5699 -6.5688 -6.5659 -6.5648
0.9694 0.9704 1.1273 1.1386 1.3078 1.3236 2.0195 2.0254
2.3595 2.3600 2.3934 2.3952 2.4868 2.5109 2.5881 2.6041
2.8688 2.8831 3.0185 3.0377 3.1010 3.1022 3.2868 3.2882
3.3325 3.3423 3.4114 3.4327 3.8494 3.8743 4.0319 4.0515
4.0800 4.0985 4.2329 4.2623 4.4697 4.5167 4.6299 4.6747
4.7841 4.7857 5.0056 5.0093 5.5214 5.5533 5.7811 5.7887
6.1228 6.1368 6.2092 6.2184 6.2239 6.2497 6.4450 6.4893
6.5426 6.5944 7.2708 7.3395 7.3825 7.3834 7.5244 7.5910
10.3467 10.3478
k = 0.0000 0.2928-0.0000 ( 6002 PWs) bands (ev):
-7.5083 -7.5083 -6.8200 -6.8199 -6.5702 -6.5690 -6.5663 -6.5651
0.9370 0.9382 1.0978 1.1091 1.2780 1.2929 2.0519 2.0574
2.3568 2.3575 2.3911 2.3931 2.5286 2.5562 2.6327 2.6518
2.8703 2.8857 3.0176 3.0388 3.1073 3.1100 3.2838 3.2859
3.3318 3.3420 3.4038 3.4262 3.8626 3.8898 4.0424 4.0659
4.0821 4.1060 4.2459 4.2779 4.4803 4.5300 4.6263 4.6747
4.7838 4.7865 5.0078 5.0113 5.5249 5.5583 5.7892 5.7968
6.1095 6.1235 6.1744 6.2015 6.2057 6.2167 6.4185 6.4616
6.5105 6.5615 7.3089 7.3791 7.4244 7.4247 7.5776 7.6438
10.2562 10.2572
k = 0.0000 0.2756-0.0000 ( 6015 PWs) bands (ev):
-7.5288 -7.5287 -6.7948 -6.7947 -6.5705 -6.5692 -6.5668 -6.5655
0.9055 0.9069 1.0693 1.0802 1.2493 1.2633 2.0835 2.0884
2.3537 2.3547 2.3887 2.3910 2.5693 2.6002 2.6773 2.6994
2.8721 2.8883 3.0167 3.0399 3.1135 3.1182 3.2805 3.2837
3.3311 3.3418 3.3962 3.4193 3.8762 3.9057 4.0524 4.0777
4.0879 4.1155 4.2592 4.2937 4.4915 4.5437 4.6227 4.6744
4.7838 4.7878 5.0100 5.0132 5.5295 5.5642 5.7973 5.8049
6.0951 6.1089 6.1306 6.1620 6.1939 6.2102 6.3940 6.4348
6.4792 6.5287 7.3462 7.4184 7.4658 7.4672 7.6302 7.6956
10.1620 10.1629
k = 0.0000 0.2584-0.0000 ( 6015 PWs) bands (ev):
-7.5482 -7.5482 -6.7704 -6.7704 -6.5708 -6.5694 -6.5672 -6.5658
0.8752 0.8766 1.0417 1.0523 1.2219 1.2350 2.1141 2.1185
2.3505 2.3516 2.3865 2.3889 2.6084 2.6424 2.7215 2.7465
2.8744 2.8911 3.0161 3.0413 3.1197 3.1269 3.2770 3.2815
3.3305 3.3414 3.3888 3.4123 3.8900 3.9218 4.0617 4.0822
4.1025 4.1275 4.2727 4.3096 4.5031 4.5575 4.6192 4.6741
4.7841 4.7897 5.0122 5.0151 5.5354 5.5711 5.8055 5.8130
6.0799 6.0867 6.0946 6.1193 6.1860 6.2035 6.3715 6.4087
6.4490 6.4961 7.3827 7.4570 7.5071 7.5108 7.6818 7.7460
10.0651 10.0658
k = 0.0000 0.2411-0.0000 ( 6011 PWs) bands (ev):
-7.5667 -7.5667 -6.7471 -6.7470 -6.5711 -6.5697 -6.5677 -6.5662
0.8461 0.8476 1.0154 1.0256 1.1959 1.2081 2.1434 2.1474
2.3472 2.3485 2.3844 2.3868 2.6456 2.6822 2.7646 2.7920
2.8774 2.8943 3.0158 3.0430 3.1255 3.1358 3.2733 3.2796
3.3299 3.3410 3.3817 3.4051 3.9039 3.9378 4.0702 4.0849
4.1202 4.1418 4.2861 4.3252 4.5147 4.5710 4.6163 4.6738
4.7851 4.7923 5.0145 5.0169 5.5426 5.5792 5.8135 5.8208
6.0459 6.0634 6.0777 6.0784 6.1780 6.1967 6.3509 6.3829
6.4205 6.4637 7.4182 7.4940 7.5490 7.5553 7.7322 7.7947
9.9665 9.9669
k = 0.0000 0.2239-0.0000 ( 6015 PWs) bands (ev):
-7.5841 -7.5841 -6.7248 -6.7248 -6.5714 -6.5699 -6.5681 -6.5666
0.8185 0.8200 0.9905 1.0001 1.1714 1.1827 2.1713 2.1749
2.3440 2.3453 2.3823 2.3847 2.6805 2.7190 2.8063 2.8342
2.8826 2.8980 3.0160 3.0450 3.1308 3.1448 3.2695 3.2781
3.3295 3.3406 3.3750 3.3978 3.9176 3.9534 4.0779 4.0877
4.1392 4.1581 4.2992 4.3403 4.5260 4.5822 4.6154 4.6739
4.7868 4.7959 5.0167 5.0186 5.5513 5.5884 5.8212 5.8282
6.0062 6.0350 6.0499 6.0604 6.1701 6.1898 6.3322 6.3569
6.3941 6.4316 7.4524 7.5289 7.5921 7.6006 7.7812 7.8416
9.8669 9.8672
k = 0.0000 0.2067-0.0000 ( 6011 PWs) bands (ev):
-7.6004 -7.6004 -6.7037 -6.7037 -6.5717 -6.5701 -6.5685 -6.5670
0.7925 0.7940 0.9671 0.9761 1.1484 1.1588 2.1977 2.2009
2.3410 2.3422 2.3805 2.3827 2.7128 2.7522 2.8458 2.8655
2.8970 2.9028 3.0168 3.0476 3.1356 3.1539 3.2657 3.2771
3.3291 3.3400 3.3688 3.3903 3.9309 3.9683 4.0853 4.0909
4.1590 4.1760 4.3118 4.3545 4.5363 4.5875 4.6203 4.6747
4.7895 4.8005 5.0188 5.0199 5.5614 5.5988 5.8286 5.8353
5.9681 5.9967 6.0322 6.0426 6.1623 6.1829 6.3152 6.3303
6.3705 6.3999 7.4852 7.5610 7.6367 7.6468 7.8286 7.8863
9.7673 9.7674
k = 0.0000 0.1895-0.0000 ( 6015 PWs) bands (ev):
-7.6155 -7.6155 -6.6840 -6.6839 -6.5719 -6.5704 -6.5689 -6.5674
0.7682 0.7696 0.9452 0.9536 1.1271 1.1366 2.2223 2.2251
2.3380 2.3392 2.3787 2.3807 2.7420 2.7811 2.8777 2.8816
2.9100 2.9286 3.0186 3.0510 3.1396 3.1629 3.2621 3.2768
3.3288 3.3392 3.3632 3.3828 3.9436 3.9820 4.0925 4.0949
4.1794 4.1952 4.3237 4.3676 4.5449 4.5860 4.6316 4.6766
4.7933 4.8062 5.0205 5.0209 5.5731 5.6106 5.8354 5.8417
5.9320 5.9594 6.0149 6.0242 6.1548 6.1760 6.2998 6.3031
6.3497 6.3688 7.5162 7.5901 7.6827 7.6938 7.8740 7.9285
9.6682 9.6685
k = 0.0000 0.1722-0.0000 ( 6019 PWs) bands (ev):
-7.6294 -7.6294 -6.6656 -6.6655 -6.5722 -6.5706 -6.5693 -6.5677
0.7457 0.7470 0.9251 0.9328 1.1075 1.1161 2.2451 2.2476
2.3353 2.3362 2.3770 2.3787 2.7676 2.8048 2.8843 2.9056
2.9279 2.9633 3.0214 3.0558 3.1429 3.1715 3.2588 3.2772
3.3285 3.3382 3.3583 3.3751 3.9556 3.9942 4.0997 4.0999
4.2004 4.2152 4.3347 4.3792 4.5511 4.5810 4.6456 4.6802
4.7984 4.8130 5.0213 5.0217 5.5863 5.6236 5.8414 5.8474
5.8982 5.9240 5.9974 6.0054 6.1475 6.1691 6.2757 6.2858
6.3315 6.3388 7.5455 7.6162 7.7301 7.7416 7.9173 7.9681
9.5704 9.5710
k = 0.0000 0.1550-0.0000 ( 6013 PWs) bands (ev):
-7.6421 -7.6421 -6.6486 -6.6486 -6.5724 -6.5709 -6.5696 -6.5681
0.7251 0.7263 0.9067 0.9137 1.0897 1.0974 2.2660 2.2682
2.3329 2.3335 2.3755 2.3769 2.7895 2.8231 2.8905 2.9163
2.9577 2.9944 3.0255 3.0630 3.1453 3.1796 3.2560 3.2786
3.3282 3.3370 3.3542 3.3674 3.9668 4.0045 4.1060 4.1071
4.2215 4.2357 4.3448 4.3892 4.5545 4.5743 4.6606 4.6857
4.8050 4.8210 5.0213 5.0225 5.6011 5.6380 5.8452 5.8520
5.8685 5.8911 5.9800 5.9862 6.1406 6.1623 6.2489 6.2724
6.3106 6.3155 7.5728 7.6392 7.7784 7.7900 7.9582 8.0047
9.4749 9.4757
k = 0.0000 0.1378-0.0000 ( 6011 PWs) bands (ev):
-7.6535 -7.6535 -6.6333 -6.6333 -6.5726 -6.5711 -6.5699 -6.5684
0.7065 0.7076 0.8902 0.8964 1.0737 1.0804 2.2847 2.2868
2.3308 2.3309 2.3743 2.3752 2.8072 2.8362 2.8974 2.9246
2.9876 3.0190 3.0309 3.0744 3.1470 3.1868 3.2541 3.2808
3.3278 3.3354 3.3508 3.3597 3.9769 4.0127 4.1131 4.1145
4.2425 4.2561 4.3542 4.3975 4.5548 4.5664 4.6756 4.6932
4.8131 4.8300 5.0205 5.0226 5.6174 5.6537 5.8324 5.8511
5.8572 5.8651 5.9627 5.9668 6.1341 6.1555 6.2233 6.2578
6.2864 6.3014 7.5979 7.6591 7.8271 7.8388 7.9966 8.0382
9.3822 9.3832
k = 0.0000 0.1206-0.0000 ( 6011 PWs) bands (ev):
-7.6636 -7.6636 -6.6195 -6.6195 -6.5727 -6.5714 -6.5701 -6.5688
0.6899 0.6909 0.8755 0.8810 1.0595 1.0654 2.3009 2.3033
2.3285 2.3294 2.3732 2.3736 2.8210 2.8451 2.9051 2.9319
3.0150 3.0356 3.0377 3.0910 3.1479 3.1927 3.2533 3.2841
3.3270 3.3337 3.3482 3.3523 3.9860 4.0188 4.1209 4.1220
4.2631 4.2762 4.3628 4.4042 4.5520 4.5575 4.6902 4.7021
4.8225 4.8397 5.0191 5.0219 5.6350 5.6704 5.8076 5.8288
5.8600 5.8622 5.9458 5.9473 6.1279 6.1483 6.1998 6.2390
6.2695 6.2890 7.6208 7.6760 7.8757 7.8874 8.0324 8.0685
9.2934 9.2946
k = 0.0000 0.1033-0.0000 ( 6011 PWs) bands (ev):
-7.6725 -7.6725 -6.6075 -6.6075 -6.5728 -6.5717 -6.5702 -6.5691
0.6754 0.6763 0.8628 0.8675 1.0472 1.0522 2.3134 2.3175
2.3265 2.3299 2.3723 2.3725 2.8314 2.8509 2.9130 2.9377
3.0376 3.0461 3.0474 3.1104 3.1482 3.1970 3.2538 3.2881
3.3252 3.3319 3.3457 3.3462 3.9939 4.0230 4.1290 4.1293
4.2826 4.2952 4.3712 4.4095 4.5468 4.5478 4.7038 4.7118
4.8331 4.8501 5.0169 5.0205 5.6536 5.6880 5.7845 5.8041
5.8632 5.8633 5.9278 5.9297 6.1220 6.1400 6.1797 6.2173
6.2591 6.2783 7.6413 7.6898 7.9230 7.9348 8.0656 8.0955
9.2094 9.2108
k = 0.0000 0.0861-0.0000 ( 6015 PWs) bands (ev):
-7.6800 -7.6800 -6.5972 -6.5972 -6.5729 -6.5719 -6.5704 -6.5694
0.6630 0.6638 0.8520 0.8559 1.0368 1.0410 2.3192 2.3241
2.3300 2.3351 2.3712 2.3720 2.8390 2.8545 2.9207 2.9421
3.0488 3.0533 3.0658 3.1293 3.1482 3.1995 3.2559 3.2929
3.3215 3.3302 3.3410 3.3446 4.0009 4.0255 4.1363 4.1369
4.3005 4.3125 4.3796 4.4138 4.5374 4.5396 4.7163 4.7215
4.8443 4.8604 5.0142 5.0182 5.6730 5.7060 5.7646 5.7824
5.8627 5.8659 5.9084 5.9149 6.1161 6.1299 6.1645 6.1963
6.2521 6.2691 7.6595 7.7008 7.9678 7.9799 8.0962 8.1194
9.1317 9.1332
k = 0.0000 0.0689-0.0000 ( 6011 PWs) bands (ev):
-7.6861 -7.6861 -6.5887 -6.5887 -6.5730 -6.5722 -6.5704 -6.5696
0.6529 0.6535 0.8432 0.8463 1.0283 1.0317 2.3201 2.3228
2.3395 2.3431 2.3705 2.3719 2.8447 2.8566 2.9277 2.9449
3.0556 3.0588 3.0849 3.1443 3.1493 3.2003 3.2593 3.2982
3.3155 3.3285 3.3386 3.3432 4.0068 4.0268 4.1428 4.1440
4.3162 4.3274 4.3886 4.4176 4.5267 4.5310 4.7271 4.7305
4.8557 4.8701 5.0110 5.0153 5.6923 5.7233 5.7493 5.7650
5.8596 5.8669 5.8902 5.9024 6.1101 6.1182 6.1546 6.1782
6.2474 6.2613 7.6752 7.7088 8.0083 8.0205 8.1243 8.1405
9.0620 9.0635
k = 0.0000 0.0517-0.0000 ( 6033 PWs) bands (ev):
-7.6909 -7.6909 -6.5821 -6.5820 -6.5730 -6.5724 -6.5705 -6.5698
0.6450 0.6454 0.8364 0.8388 1.0218 1.0243 2.3198 2.3215
2.3468 2.3499 2.3702 2.3721 2.8489 2.8576 2.9335 2.9464
3.0608 3.0631 3.1014 3.1450 3.1612 3.1995 3.2638 3.3036
3.3080 3.3267 3.3376 3.3418 4.0119 4.0269 4.1483 4.1498
4.3291 4.3389 4.3983 4.4214 4.5163 4.5216 4.7361 4.7381
4.8665 4.8784 5.0077 5.0118 5.7091 5.7294 5.7485 5.7542
5.8527 5.8606 5.8788 5.8931 6.1037 6.1068 6.1487 6.1639
6.2442 6.2548 7.6884 7.7139 8.0425 8.0540 8.1495 8.1593
9.0027 9.0040
k = 0.0000 0.0344-0.0000 ( 6031 PWs) bands (ev):
-7.6944 -7.6944 -6.5773 -6.5773 -6.5730 -6.5726 -6.5704 -6.5700
0.6393 0.6396 0.8317 0.8333 1.0173 1.0189 2.3195 2.3205
2.3518 2.3543 2.3707 2.3725 2.8520 2.8578 2.9383 2.9468
3.0647 3.0661 3.1150 3.1428 3.1726 3.1973 3.2694 3.2995
3.3093 3.3246 3.3376 3.3407 4.0161 4.0262 4.1527 4.1540
4.3388 4.3463 4.4085 4.4249 4.5072 4.5124 4.7427 4.7439
4.8760 4.8847 5.0051 5.0083 5.7173 5.7224 5.7556 5.7637
5.8423 5.8446 5.8776 5.8872 6.0978 6.0980 6.1454 6.1540
6.2426 6.2497 7.6991 7.7163 8.0685 8.0779 8.1707 8.1755
8.9566 8.9576
k = 0.0000 0.0172-0.0000 ( 6031 PWs) bands (ev):
-7.6964 -7.6964 -6.5745 -6.5744 -6.5729 -6.5727 -6.5704 -6.5702
0.6360 0.6361 0.8290 0.8298 1.0147 1.0155 2.3193 2.3198
2.3549 2.3563 2.3717 2.3728 2.8544 2.8573 2.9420 2.9462
3.0672 3.0678 3.1256 3.1390 3.1817 3.1937 3.2760 3.2912
3.3143 3.3220 3.3380 3.3396 4.0197 4.0247 4.1557 4.1565
4.3455 4.3496 4.4179 4.4266 4.5013 4.5047 4.7469 4.7475
4.8832 4.8878 5.0036 5.0054 5.7168 5.7174 5.7684 5.7772
5.8288 5.8305 5.8789 5.8835 6.0927 6.0932 6.1441 6.1479
6.2424 6.2460 7.7073 7.7160 8.0855 8.0908 8.1854 8.1872
8.9272 8.9278
k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev):
-7.6971 -7.6971 -6.5735 -6.5735 -6.5728 -6.5728 -6.5703 -6.5703
0.6349 0.6349 0.8284 0.8284 1.0141 1.0141 2.3194 2.3194
2.3563 2.3563 2.3725 2.3725 2.8561 2.8561 2.9446 2.9446
3.0682 3.0682 3.1335 3.1335 3.1886 3.1886 3.2833 3.2833
3.3185 3.3185 3.3387 3.3387 4.0225 4.0225 4.1570 4.1570
4.3492 4.3492 4.4245 4.4245 4.5004 4.5004 4.7485 4.7485
4.8873 4.8873 5.0037 5.0037 5.7158 5.7158 5.7798 5.7798
5.8227 5.8227 5.8809 5.8809 6.0912 6.0912 6.1448 6.1448
6.2435 6.2435 7.7129 7.7129 8.0931 8.0931 8.1911 8.1911
8.9172 8.9172
k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev):
-7.6971 -7.6971 -6.5735 -6.5735 -6.5728 -6.5728 -6.5703 -6.5703
0.6349 0.6349 0.8284 0.8284 1.0141 1.0141 2.3194 2.3194
2.3563 2.3563 2.3725 2.3725 2.8561 2.8561 2.9446 2.9446
3.0682 3.0682 3.1335 3.1335 3.1886 3.1886 3.2833 3.2833
3.3185 3.3185 3.3387 3.3387 4.0225 4.0225 4.1570 4.1570
4.3492 4.3492 4.4245 4.4245 4.5004 4.5004 4.7485 4.7485
4.8873 4.8873 5.0037 5.0037 5.7158 5.7158 5.7798 5.7798
5.8227 5.8227 5.8809 5.8809 6.0912 6.0912 6.1448 6.1448
6.2435 6.2435 7.7129 7.7129 8.0931 8.0931 8.1911 8.1911
8.9172 8.9172
k = 0.0000 0.0000 0.0172 ( 6031 PWs) bands (ev):
-7.6965 -7.6965 -6.5736 -6.5735 -6.5728 -6.5727 -6.5712 -6.5711
0.6359 0.6360 0.8290 0.8296 1.0148 1.0154 2.3184 2.3184
2.3557 2.3571 2.3720 2.3733 2.8547 2.8575 2.9393 2.9482
3.0622 3.0716 3.1278 3.1392 3.1826 3.1931 3.2806 3.2868
3.3174 3.3191 3.3377 3.3392 4.0213 4.0232 4.1562 4.1566
4.3460 4.3495 4.4200 4.4249 4.5014 4.5035 4.7458 4.7460
4.8883 4.8901 4.9999 5.0030 5.7047 5.7195 5.7779 5.7822
5.8230 5.8259 5.8826 5.8860 6.0914 6.0921 6.1457 6.1479
6.2429 6.2457 7.7076 7.7159 8.0860 8.0923 8.1850 8.1854
8.9277 8.9280
k = 0.0000 0.0000 0.0344 ( 6031 PWs) bands (ev):
-7.6945 -7.6945 -6.5743 -6.5741 -6.5733 -6.5731 -6.5728 -6.5725
0.6391 0.6393 0.8315 0.8326 1.0173 1.0187 2.3152 2.3153
2.3551 2.3578 2.3717 2.3743 2.8532 2.8588 2.9324 2.9502
3.0531 3.0729 3.1224 3.1441 3.1754 3.1961 3.2788 3.2910
3.3159 3.3193 3.3363 3.3392 4.0196 4.0234 4.1542 4.1550
4.3403 4.3468 4.4125 4.4219 4.5061 4.5095 4.7384 4.7388
4.8924 4.8959 4.9918 4.9979 5.6888 5.7150 5.7774 5.7844
5.8266 5.8323 5.8912 5.8966 6.0929 6.0935 6.1501 6.1552
6.2437 6.2493 7.7000 7.7166 8.0713 8.0829 8.1683 8.1700
8.9581 8.9587
k = 0.0000 0.0000 0.0517 ( 6033 PWs) bands (ev):
-7.6913 -7.6913 -6.5785 -6.5784 -6.5735 -6.5732 -6.5728 -6.5724
0.6444 0.6446 0.8357 0.8375 1.0219 1.0239 2.3099 2.3102
2.3546 2.3586 2.3717 2.3754 2.8514 2.8599 2.9240 2.9503
3.0412 3.0728 3.1170 3.1449 3.1696 3.1981 3.2777 3.2949
3.3146 3.3194 3.3346 3.3385 4.0172 4.0230 4.1513 4.1521
4.3320 4.3407 4.4034 4.4171 4.5131 4.5171 4.7276 4.7279
4.8988 4.9036 4.9797 4.9888 5.6702 5.7040 5.7781 5.7862
5.8332 5.8416 5.9053 5.9110 6.0951 6.0958 6.1581 6.1667
6.2462 6.2544 7.6902 7.7148 8.0485 8.0632 8.1444 8.1496
9.0056 9.0062
k = 0.0000 0.0000 0.0689 ( 6011 PWs) bands (ev):
-7.6869 -7.6868 -6.5846 -6.5846 -6.5735 -6.5730 -6.5726 -6.5722
0.6518 0.6521 0.8419 0.8441 1.0283 1.0310 2.3026 2.3031
2.3543 2.3595 2.3720 2.3768 2.8490 2.8609 2.9143 2.9484
3.0268 3.0717 3.1111 3.1370 3.1697 3.1995 3.2770 3.2971
3.3151 3.3196 3.3329 3.3375 4.0143 4.0221 4.1476 4.1481
4.3211 4.3310 4.3940 4.4119 4.5210 4.5250 4.7147 4.7149
4.9064 4.9124 4.9640 4.9760 5.6505 5.6893 5.7792 5.7876
5.8427 5.8536 5.9230 5.9279 6.0968 6.0998 6.1696 6.1822
6.2506 6.2611 7.6781 7.7105 8.0173 8.0328 8.1170 8.1280
9.0665 9.0671
k = 0.0000 0.0000 0.0861 ( 6015 PWs) bands (ev):
-7.6811 -7.6811 -6.5925 -6.5925 -6.5734 -6.5729 -6.5724 -6.5719
0.6612 0.6616 0.8498 0.8526 1.0367 1.0400 2.2933 2.2940
2.3541 2.3604 2.3725 2.3782 2.8455 2.8615 2.9037 2.9442
3.0105 3.0698 3.1041 3.1218 3.1741 3.2006 3.2763 3.2961
3.3183 3.3202 3.3314 3.3361 4.0106 4.0204 4.1431 4.1431
4.3077 4.3182 4.3846 4.4066 4.5290 4.5326 4.7006 4.7008
4.9139 4.9211 4.9454 4.9600 5.6306 5.6729 5.7798 5.7885
5.8549 5.8683 5.9428 5.9463 6.0986 6.1045 6.1844 6.2004
6.2572 6.2691 7.6638 7.7037 7.9790 7.9938 8.0880 8.1060
9.1378 9.1383
k = 0.0000 0.0000 0.1033 ( 6011 PWs) bands (ev):
-7.6741 -7.6741 -6.6021 -6.6021 -6.5733 -6.5728 -6.5722 -6.5717
0.6727 0.6732 0.8594 0.8628 1.0470 1.0510 2.2820 2.2830
2.3540 2.3613 2.3732 2.3797 2.8398 2.8612 2.8933 2.9373
2.9927 3.0665 3.0962 3.1032 3.1796 3.2017 3.2753 3.2929
3.3213 3.3219 3.3317 3.3347 4.0060 4.0180 4.1373 4.1381
4.2923 4.3029 4.3753 4.4010 4.5365 4.5395 4.6861 4.6866
4.9172 4.9281 4.9289 4.9419 5.6112 5.6560 5.7795 5.7886
5.8700 5.8856 5.9636 5.9658 6.1006 6.1099 6.2024 6.2203
6.2667 6.2786 7.6473 7.6942 7.9356 7.9495 8.0577 8.0828
9.2172 9.2174
k = 0.0000 0.0000 0.1206 ( 6011 PWs) bands (ev):
-7.6659 -7.6659 -6.6133 -6.6133 -6.5731 -6.5727 -6.5719 -6.5714
0.6862 0.6867 0.8708 0.8746 1.0591 1.0638 2.2687 2.2701
2.3540 2.3622 2.3742 2.3813 2.8305 2.8592 2.8846 2.9279
2.9739 3.0582 3.0856 3.0874 3.1856 3.2030 3.2740 3.2888
3.3221 3.3228 3.3339 3.3365 4.0007 4.0147 4.1309 4.1329
4.2752 4.2858 4.3659 4.3947 4.5432 4.5454 4.6720 4.6732
4.8981 4.9199 4.9304 4.9378 5.5928 5.6394 5.7783 5.7879
5.8877 5.9054 5.9849 5.9860 6.1030 6.1157 6.2233 6.2397
6.2807 6.2897 7.6286 7.6821 7.8891 7.9024 8.0259 8.0573
9.3027 9.3027
k = 0.0000 0.0000 0.1378 ( 6011 PWs) bands (ev):
-7.6565 -7.6565 -6.6260 -6.6260 -6.5730 -6.5725 -6.5716 -6.5711
0.7016 0.7022 0.8838 0.8881 1.0731 1.0784 2.2536 2.2553
2.3541 2.3631 2.3753 2.3830 2.8166 2.8538 2.8786 2.9174
2.9536 3.0381 3.0764 3.0785 3.1915 3.2044 3.2722 3.2844
3.3200 3.3230 3.3353 3.3438 3.9944 4.0104 4.1243 4.1274
4.2570 4.2676 4.3561 4.3871 4.5488 4.5499 4.6588 4.6613
4.8733 4.8982 4.9362 4.9443 5.5758 5.6237 5.7759 5.7861
5.9081 5.9275 6.0061 6.0067 6.1059 6.1220 6.2464 6.2569
6.3003 6.3024 7.6078 7.6671 7.8411 7.8542 7.9920 8.0291
9.3928 9.3932
k = 0.0000 0.0000 0.1550 ( 6013 PWs) bands (ev):
-7.6460 -7.6460 -6.6403 -6.6402 -6.5728 -6.5723 -6.5712 -6.5707
0.7189 0.7196 0.8984 0.9032 1.0890 1.0948 2.2367 2.2387
2.3543 2.3640 2.3766 2.3847 2.7982 2.8427 2.8752 2.9086
2.9313 3.0090 3.0702 3.0730 3.1973 3.2058 3.2704 3.2800
3.3171 3.3215 3.3393 3.3520 3.9872 4.0050 4.1176 4.1218
4.2382 4.2486 4.3456 4.3781 4.5530 4.5532 4.6467 4.6513
4.8471 4.8754 4.9414 4.9499 5.5602 5.6091 5.7724 5.7832
5.9310 5.9519 6.0268 6.0276 6.1092 6.1288 6.2713 6.2723
6.3169 6.3249 7.5848 7.6493 7.7930 7.8058 7.9560 7.9981
9.4867 9.4874
k = 0.0000 0.0000 0.1722 ( 6019 PWs) bands (ev):
-7.6343 -7.6343 -6.6559 -6.6559 -6.5726 -6.5721 -6.5709 -6.5704
0.7380 0.7387 0.9145 0.9198 1.1066 1.1130 2.2180 2.2203
2.3546 2.3648 2.3781 2.3865 2.7763 2.8245 2.8735 2.9016
2.9076 2.9753 3.0630 3.0713 3.2027 3.2070 3.2687 3.2758
3.3139 3.3189 3.3451 3.3605 3.9792 3.9983 4.1112 4.1162
4.2191 4.2295 4.3343 4.3675 4.5546 4.5563 4.6361 4.6434
4.8202 4.8524 4.9458 4.9547 5.5463 5.5958 5.7677 5.7792
5.9562 5.9784 6.0468 6.0486 6.1131 6.1361 6.2871 6.2973
6.3334 6.3527 7.5599 7.6286 7.7453 7.7578 7.9177 7.9642
9.5835 9.5846
k = 0.0000 0.0000 0.1895 ( 6015 PWs) bands (ev):
-7.6215 -7.6215 -6.6729 -6.6728 -6.5723 -6.5719 -6.5705 -6.5700
0.7588 0.7596 0.9321 0.9377 1.1260 1.1329 2.1977 2.2004
2.3551 2.3657 2.3796 2.3883 2.7517 2.8005 2.8726 2.8757
2.9025 2.9387 3.0572 3.0703 3.2077 3.2077 3.2675 3.2720
3.3104 3.3158 3.3520 3.3692 3.9704 3.9905 4.1051 4.1106
4.1999 4.2104 4.3222 4.3554 4.5545 4.5581 4.6270 4.6378
4.7930 4.8296 4.9495 4.9585 5.5343 5.5840 5.7618 5.7742
5.9837 6.0068 6.0657 6.0694 6.1174 6.1442 6.3026 6.3235
6.3526 6.3825 7.5331 7.6048 7.6989 7.7106 7.8774 7.9277
9.6825 9.6838
k = 0.0000 0.0000 0.2067 ( 6011 PWs) bands (ev):
-7.6076 -7.6076 -6.6911 -6.6910 -6.5720 -6.5716 -6.5701 -6.5696
0.7813 0.7820 0.9511 0.9570 1.1470 1.1545 2.1757 2.1788
2.3556 2.3666 2.3813 2.3901 2.7249 2.7724 2.8429 2.8701
2.9016 2.9026 3.0526 3.0695 3.2078 3.2120 3.2669 3.2687
3.3066 3.3124 3.3599 3.3780 3.9609 3.9815 4.0997 4.1050
4.1811 4.1917 4.3092 4.3418 4.5528 4.5589 4.6194 4.6343
4.7660 4.8077 4.9524 4.9615 5.5240 5.5737 5.7551 5.7683
6.0132 6.0367 6.0832 6.0900 6.1222 6.1531 6.3191 6.3487
6.3752 6.4135 7.5045 7.5779 7.6543 7.6643 7.8351 7.8888
9.7828 9.7845
k = 0.0000 0.0000 0.2239 ( 6015 PWs) bands (ev):
-7.5928 -7.5928 -6.7104 -6.7103 -6.5718 -6.5714 -6.5697 -6.5693
0.8052 0.8060 0.9713 0.9774 1.1697 1.1777 2.1523 2.1557
2.3560 2.3673 2.3829 2.3918 2.6963 2.7417 2.8066 2.8487
2.8818 2.9041 3.0492 3.0689 3.2070 3.2154 3.2664 3.2671
3.3027 3.3087 3.3683 3.3869 3.9509 3.9715 4.0947 4.0993
4.1628 4.1738 4.2955 4.3271 4.5496 4.5588 4.6129 4.6324
4.7395 4.7871 4.9545 4.9637 5.5154 5.5649 5.7473 5.7613
6.0445 6.0679 6.0992 6.1104 6.1274 6.1628 6.3371 6.3726
6.4015 6.4453 7.4744 7.5475 7.6117 7.6191 7.7910 7.8475
9.8837 9.8858
k = 0.0000 0.0000 0.2411 ( 6011 PWs) bands (ev):
-7.5770 -7.5770 -6.7307 -6.7307 -6.5715 -6.5711 -6.5693 -6.5689
0.8305 0.8313 0.9926 0.9989 1.1940 1.2024 2.1275 2.1312
2.3567 2.3681 2.3846 2.3936 2.6662 2.7091 2.7674 2.8071
2.8807 2.9062 3.0466 3.0683 3.2055 3.2176 3.2650 3.2680
3.2988 3.3049 3.3773 3.3957 3.9404 3.9608 4.0903 4.0934
4.1451 4.1568 4.2814 4.3116 4.5452 4.5582 4.6074 4.6318
4.7137 4.7680 4.9561 4.9652 5.5086 5.5576 5.7388 5.7536
6.0775 6.0995 6.1134 6.1307 6.1332 6.1734 6.3566 6.3958
6.4306 6.4776 7.4430 7.5140 7.5715 7.5748 7.7454 7.8044
9.9846 9.9869
k = 0.0000 0.0000 0.2584 ( 6015 PWs) bands (ev):
-7.5604 -7.5603 -6.7519 -6.7518 -6.5712 -6.5708 -6.5689 -6.5685
0.8571 0.8579 1.0148 1.0213 1.2197 1.2285 2.1014 2.1055
2.3574 2.3688 2.3864 2.3953 2.6350 2.6753 2.7256 2.7617
2.8821 2.9088 3.0446 3.0676 3.2034 3.2184 3.2648 3.2694
3.2948 3.3011 3.3865 3.4045 3.9298 3.9494 4.0863 4.0870
4.1281 4.1412 4.2671 4.2957 4.5396 4.5570 4.6025 4.6321
4.6890 4.7509 4.9572 4.9661 5.5034 5.5517 5.7294 5.7451
6.1119 6.1260 6.1290 6.1391 6.1534 6.1846 6.3776 6.4191
6.4614 6.5102 7.4106 7.4777 7.5315 7.5333 7.6986 7.7596
10.0844 10.0869
k = 0.0000 0.0000 0.2756 ( 6015 PWs) bands (ev):
-7.5429 -7.5429 -6.7738 -6.7738 -6.5709 -6.5706 -6.5685 -6.5681
0.8847 0.8854 1.0379 1.0443 1.2469 1.2559 2.0742 2.0787
2.3580 2.3695 2.3881 2.3969 2.6030 2.6408 2.6820 2.7148
2.8844 2.9116 3.0431 3.0668 3.2007 3.2180 3.2656 3.2713
3.2909 3.2972 3.3959 3.4132 3.9190 3.9377 4.0798 4.0826
4.1121 4.1275 4.2528 4.2796 4.5329 4.5554 4.5981 4.6329
4.6657 4.7359 4.9580 4.9667 5.4998 5.5472 5.7195 5.7360
6.1362 6.1433 6.1484 6.1553 6.1814 6.1963 6.4002 6.4431
6.4932 6.5431 7.3773 7.4397 7.4892 7.4963 7.6507 7.7133
10.1822 10.1849
k = 0.0000 0.0000 0.2928 ( 6002 PWs) bands (ev):
-7.5248 -7.5248 -6.7964 -6.7963 -6.5706 -6.5703 -6.5681 -6.5677
0.9131 0.9138 1.0615 1.0679 1.2752 1.2846 2.0461 2.0510
2.3586 2.3700 2.3899 2.3985 2.5705 2.6059 2.6370 2.6670
2.8871 2.9145 3.0420 3.0660 3.1979 3.2165 3.2670 3.2733
3.2874 3.2934 3.4055 3.4217 3.9085 3.9260 4.0718 4.0788
4.0976 4.1158 4.2388 4.2637 4.5254 4.5533 4.5941 4.6338
4.6445 4.7230 4.9585 4.9668 5.4977 5.5440 5.7091 5.7264
6.1459 6.1495 6.1741 6.1851 6.2080 6.2146 6.4243 6.4679
6.5257 6.5762 7.3434 7.4008 7.4477 7.4600 7.6021 7.6660
10.2770 10.2798
k = 0.0000 0.0000 0.3100 ( 6002 PWs) bands (ev):
-7.5061 -7.5061 -6.8193 -6.8193 -6.5703 -6.5700 -6.5677 -6.5674
0.9422 0.9428 1.0855 1.0917 1.3047 1.3142 2.0173 2.0225
2.3591 2.3704 2.3916 2.4000 2.5377 2.5711 2.5914 2.6191
2.8901 2.9174 3.0411 3.0649 3.1949 3.2142 3.2684 3.2752
3.2844 3.2898 3.4149 3.4300 3.8981 3.9143 4.0627 4.0736
4.0857 4.1064 4.2252 4.2483 4.5173 4.5503 4.5904 4.6243
4.6361 4.7120 4.9586 4.9665 5.4969 5.5420 5.6983 5.7164
6.1542 6.1553 6.1903 6.2192 6.2231 6.2501 6.4500 6.4935
6.5587 6.6093 7.3092 7.3618 7.4070 7.4239 7.5531 7.6179
10.3675 10.3703
k = 0.0000 0.0000 0.3273 ( 6006 PWs) bands (ev):
-7.4870 -7.4870 -6.8425 -6.8425 -6.5701 -6.5698 -6.5673 -6.5670
0.9716 0.9721 1.1096 1.1156 1.3351 1.3447 1.9880 1.9936
2.3594 2.3704 2.3933 2.4014 2.5049 2.5358 2.5465 2.5719
2.8934 2.9202 3.0404 3.0637 3.1919 3.2115 3.2690 3.2766
3.2825 3.2869 3.4241 3.4379 3.8881 3.9030 4.0530 4.0645
4.0790 4.0989 4.2124 4.2334 4.5088 4.5458 4.5872 4.6081
4.6375 4.7028 4.9586 4.9660 5.4974 5.5411 5.6872 5.7060
6.1609 6.1615 6.2049 6.2301 6.2615 6.2864 6.4769 6.5198
6.5922 6.6425 7.2751 7.3229 7.3672 7.3879 7.5039 7.5694
10.4520 10.4549
k = 0.0000 0.0000 0.3445 ( 6006 PWs) bands (ev):
-7.4676 -7.4676 -6.8658 -6.8657 -6.5698 -6.5695 -6.5670 -6.5667
1.0009 1.0013 1.1336 1.1391 1.3661 1.3758 1.9585 1.9644
2.3591 2.3699 2.3948 2.4025 2.4720 2.4961 2.5078 2.5265
2.8969 2.9229 3.0400 3.0624 3.1892 3.2085 3.2684 3.2766
3.2823 3.2854 3.4330 3.4454 3.8787 3.8922 4.0431 4.0534
4.0756 4.0929 4.2005 4.2195 4.5002 4.5394 4.5844 4.5954
4.6391 4.6950 4.9586 4.9654 5.4991 5.5412 5.6761 5.6956
6.1662 6.1679 6.2181 6.2401 6.3003 6.3229 6.5050 6.5466
6.6260 6.6758 7.2412 7.2844 7.3282 7.3522 7.4549 7.5207
10.5291 10.5321
k = 0.0000 0.0000 0.3617 ( 5994 PWs) bands (ev):
-7.4482 -7.4482 -6.8887 -6.8887 -6.5696 -6.5693 -6.5667 -6.5664
1.0299 1.0301 1.1570 1.1621 1.3974 1.4071 1.9291 1.9355
2.3578 2.3682 2.3960 2.4034 2.4390 2.4530 2.4758 2.4846
2.9006 2.9254 3.0397 3.0609 3.1867 3.2054 3.2666 3.2748
3.2834 3.2858 3.4415 3.4525 3.8701 3.8820 4.0337 4.0426
4.0733 4.0880 4.1896 4.2066 4.4920 4.5307 4.5820 4.5865
4.6409 4.6885 4.9584 4.9647 5.5018 5.5422 5.6651 5.6851
6.1712 6.1735 6.2300 6.2492 6.3390 6.3591 6.5340 6.5735
6.6600 6.7090 7.2080 7.2464 7.2901 7.3171 7.4066 7.4724
10.5971 10.6002
k = 0.0000 0.0000 0.3789 ( 5990 PWs) bands (ev):
-7.4290 -7.4290 -6.9112 -6.9111 -6.5693 -6.5691 -6.5664 -6.5661
1.0579 1.0580 1.1796 1.1840 1.4287 1.4382 1.9004 1.9070
2.3540 2.3636 2.3956 2.4026 2.4080 2.4137 2.4473 2.4487
2.9043 2.9274 3.0397 3.0592 3.1846 3.2022 3.2645 3.2722
3.2850 3.2870 3.4494 3.4589 3.8622 3.8727 4.0250 4.0327
4.0715 4.0839 4.1799 4.1948 4.4844 4.5205 4.5800 4.5808
4.6427 4.6829 4.9583 4.9639 5.5055 5.5438 5.6543 5.6747
6.1758 6.1784 6.2406 6.2571 6.3773 6.3944 6.5633 6.6002
6.6942 6.7421 7.1761 7.2090 7.2531 7.2833 7.3592 7.4248
10.6553 10.6586
k = 0.0000 0.0000 0.3962 ( 6002 PWs) bands (ev):
-7.4105 -7.4104 -6.9327 -6.9326 -6.5691 -6.5690 -6.5661 -6.5659
1.0844 1.0845 1.2008 1.2046 1.4593 1.4686 1.8727 1.8796
2.3418 2.3485 2.3791 2.3791 2.3998 2.4059 2.4210 2.4228
2.9081 2.9290 3.0398 3.0574 3.1829 3.1990 3.2624 3.2693
3.2867 3.2884 3.4566 3.4647 3.8552 3.8642 4.0171 4.0238
4.0700 4.0804 4.1714 4.1842 4.4777 4.5097 4.5773 4.5783
4.6446 4.6781 4.9582 4.9630 5.5100 5.5460 5.6440 5.6644
6.1799 6.1826 6.2500 6.2639 6.4144 6.4285 6.5925 6.6260
6.7285 6.7750 7.1459 7.1721 7.2172 7.2513 7.3132 7.3784
10.7041 10.7075
k = 0.0000 0.0000 0.4134 ( 6002 PWs) bands (ev):
-7.3929 -7.3929 -6.9527 -6.9527 -6.5690 -6.5688 -6.5659 -6.5657
1.1086 1.1090 1.2203 1.2233 1.4885 1.4974 1.8469 1.8538
2.3150 2.3190 2.3625 2.3649 2.3974 2.4040 2.4055 2.4063
2.9117 2.9301 3.0402 3.0555 3.1817 3.1958 3.2606 3.2667
3.2883 3.2897 3.4631 3.4697 3.8492 3.8567 4.0104 4.0161
4.0689 4.0774 4.1643 4.1749 4.4722 4.4994 4.5752 4.5769
4.6466 4.6738 4.9581 4.9622 5.5153 5.5484 5.6344 5.6545
6.1836 6.1861 6.2580 6.2696 6.4496 6.4606 6.6206 6.6502
6.7628 6.8076 7.1183 7.1360 7.1831 7.2225 7.2693 7.3339
10.7446 10.7481
k = 0.0000 0.0000 0.4306 ( 5990 PWs) bands (ev):
-7.3769 -7.3769 -6.9708 -6.9708 -6.5688 -6.5687 -6.5657 -6.5656
1.1301 1.1305 1.2375 1.2397 1.5156 1.5239 1.8236 1.8304
2.2840 2.2873 2.3502 2.3510 2.3907 2.3927 2.4037 2.4065
2.9153 2.9306 3.0409 3.0535 3.1810 3.1929 3.2592 3.2643
3.2898 3.2908 3.4686 3.4739 3.8444 3.8504 4.0050 4.0096
4.0681 4.0749 4.1587 4.1672 4.4680 4.4900 4.5740 4.5757
4.6487 4.6701 4.9580 4.9614 5.5212 5.5506 5.6262 5.6451
6.1867 6.1889 6.2649 6.2741 6.4819 6.4899 6.6468 6.6716
6.7970 6.8395 7.0937 7.1007 7.1517 7.1980 7.2281 7.2921
10.7782 10.7816
k = 0.0000 0.0000 0.4478 ( 5992 PWs) bands (ev):
-7.3632 -7.3632 -6.9861 -6.9861 -6.5687 -6.5686 -6.5655 -6.5654
1.1479 1.1483 1.2517 1.2533 1.5394 1.5466 1.8040 1.8101
2.2565 2.2591 2.3376 2.3380 2.3869 2.3871 2.4042 2.4066
2.9187 2.9306 3.0418 3.0515 3.1809 3.1901 3.2583 3.2622
3.2909 3.2917 3.4731 3.4770 3.8407 3.8452 4.0008 4.0043
4.0677 4.0727 4.1545 4.1608 4.4652 4.4818 4.5733 4.5748
4.6509 4.6667 4.9581 4.9606 5.5274 5.5519 5.6198 5.6364
6.1893 6.1910 6.2704 6.2773 6.5099 6.5152 6.6696 6.6891
6.8308 6.8701 7.0669 7.0715 7.1253 7.1796 7.1906 7.2541
10.8054 10.8083
k = 0.0000 0.0000 0.4651 ( 5992 PWs) bands (ev):
-7.3526 -7.3526 -6.9980 -6.9979 -6.5686 -6.5685 -6.5654 -6.5653
1.1613 1.1617 1.2626 1.2635 1.5586 1.5640 1.7890 1.7939
2.2352 2.2371 2.3270 2.3277 2.3847 2.3850 2.4049 2.4066
2.9218 2.9299 3.0429 3.0495 3.1813 3.1875 3.2578 3.2604
3.2918 3.2923 3.4767 3.4792 3.8382 3.8412 3.9979 4.0003
4.0676 4.0709 4.1517 4.1559 4.4639 4.4751 4.5729 4.5740
4.6531 4.6636 4.9582 4.9599 5.5338 5.5517 5.6159 5.6286
6.1912 6.1924 6.2747 6.2793 6.5320 6.5350 6.6879 6.7013
6.8635 6.8976 7.0361 7.0497 7.1083 7.1576 7.1692 7.2211
10.8258 10.8281
k = 0.0000 0.0000 0.4823 ( 5988 PWs) bands (ev):
-7.3458 -7.3458 -7.0055 -7.0055 -6.5685 -6.5685 -6.5653 -6.5653
1.1697 1.1700 1.2694 1.2699 1.5717 1.5747 1.7801 1.7828
2.2220 2.2230 2.3205 2.3210 2.3838 2.3840 2.4055 2.4064
2.9245 2.9286 3.0443 3.0477 3.1821 3.1853 3.2578 3.2591
3.2924 3.2926 3.4791 3.4803 3.8371 3.8385 3.9965 3.9977
4.0678 4.0695 4.1505 4.1526 4.4643 4.4699 4.5729 4.5735
4.6555 4.6607 4.9585 4.9593 5.5400 5.5496 5.6151 5.6221
6.1925 6.1931 6.2778 6.2801 6.5464 6.5477 6.7007 6.7075
6.8935 6.9166 7.0137 7.0276 7.1042 7.1310 7.1679 7.1947
10.8389 10.8402
k = 0.0000 0.0000 0.4995 ( 5942 PWs) bands (ev):
-7.3435 -7.3435 -7.0080 -7.0080 -6.5685 -6.5685 -6.5653 -6.5653
1.1727 1.1727 1.2719 1.2719 1.5773 1.5773 1.7781 1.7781
2.2178 2.2178 2.3185 2.3185 2.3837 2.3837 2.4061 2.4061
2.9269 2.9269 3.0459 3.0459 3.1836 3.1836 3.2583 3.2583
3.2927 3.2927 3.4803 3.4803 3.8373 3.8373 3.9964 3.9964
4.0686 4.0686 4.1508 4.1508 4.4664 4.4664 4.5733 4.5733
4.6581 4.6581 4.9590 4.9590 5.5456 5.5456 5.6175 5.6175
6.1933 6.1933 6.2797 6.2797 6.5518 6.5518 6.7074 6.7074
6.9153 6.9153 7.0112 7.0112 7.1125 7.1125 7.1766 7.1766
10.8439 10.8439
k = 0.0000 0.0000 0.4995 ( 5942 PWs) bands (ev):
-7.3435 -7.3435 -7.0080 -7.0080 -6.5685 -6.5685 -6.5653 -6.5653
1.1727 1.1727 1.2719 1.2719 1.5773 1.5773 1.7781 1.7781
2.2178 2.2178 2.3185 2.3185 2.3837 2.3837 2.4061 2.4061
2.9269 2.9269 3.0459 3.0459 3.1836 3.1836 3.2583 3.2583
3.2927 3.2927 3.4803 3.4803 3.8373 3.8373 3.9964 3.9964
4.0686 4.0686 4.1508 4.1508 4.4664 4.4664 4.5733 4.5733
4.6581 4.6581 4.9590 4.9590 5.5456 5.5456 5.6175 5.6175
6.1933 6.1933 6.2797 6.2797 6.5518 6.5518 6.7074 6.7074
6.9153 6.9153 7.0112 7.0112 7.1125 7.1125 7.1766 7.1766
10.8439 10.8439
k = 0.0172-0.0000 0.4995 ( 6000 PWs) bands (ev):
-7.3430 -7.3429 -7.0078 -7.0077 -6.5690 -6.5689 -6.5658 -6.5657
1.1735 1.1736 1.2708 1.2721 1.5770 1.5776 1.7762 1.7789
2.2132 2.2214 2.3136 2.3224 2.3822 2.3853 2.4037 2.4083
2.9254 2.9267 3.0396 3.0505 3.1795 3.1849 3.2557 3.2561
3.2929 3.2936 3.4782 3.4851 3.8341 3.8387 3.9932 3.9992
4.0678 4.0700 4.1458 4.1568 4.4602 4.4742 4.5661 4.5836
4.6580 4.6612 4.9583 4.9593 5.5458 5.5460 5.6169 5.6190
6.1913 6.1935 6.2765 6.2810 6.5506 6.5512 6.7058 6.7089
6.9129 6.9161 7.0114 7.0131 7.1111 7.1141 7.1749 7.1784
10.8459 10.8500
k = 0.0345-0.0000 0.4995 ( 6000 PWs) bands (ev):
-7.3414 -7.3413 -7.0069 -7.0067 -6.5703 -6.5702 -6.5670 -6.5669
1.1761 1.1763 1.2690 1.2715 1.5766 1.5779 1.7735 1.7789
2.2077 2.2242 2.3079 2.3254 2.3809 2.3870 2.4014 2.4105
2.9224 2.9251 3.0318 3.0534 3.1732 3.1838 3.2485 3.2502
3.2946 3.2951 3.4789 3.4925 3.8296 3.8385 3.9900 4.0016
4.0681 4.0723 4.1424 4.1636 4.4563 4.4834 4.5634 4.5975
4.6613 4.6677 4.9575 4.9595 5.5472 5.5476 5.6178 5.6220
6.1881 6.1926 6.2721 6.2810 6.5476 6.5489 6.7044 6.7106
6.9093 6.9157 7.0137 7.0177 7.1095 7.1148 7.1744 7.1810
10.8562 10.8642
k = 0.0517-0.0000 0.4995 ( 5996 PWs) bands (ev):
-7.3389 -7.3387 -7.0053 -7.0051 -6.5728 -6.5727 -6.5689 -6.5688
1.1804 1.1807 1.2664 1.2702 1.5762 1.5782 1.7700 1.7781
2.2011 2.2258 2.3017 2.3278 2.3799 2.3887 2.3992 2.4126
2.9180 2.9220 3.0226 3.0546 3.1646 3.1802 3.2373 3.2413
3.2969 3.2974 3.4819 3.5022 3.8239 3.8366 3.9867 4.0034
4.0690 4.0753 4.1406 4.1710 4.4545 4.4922 4.5665 4.6146
4.6677 4.6774 4.9566 4.9595 5.5496 5.5503 5.6201 5.6262
6.1836 6.1902 6.2663 6.2794 6.5432 6.5450 6.7034 6.7124
6.9048 6.9140 7.0175 7.0250 7.1066 7.1115 7.1774 7.1860
10.8746 10.8864
k = 0.0690-0.0000 0.4995 ( 6004 PWs) bands (ev):
-7.3353 -7.3351 -7.0032 -7.0029 -6.5764 -6.5764 -6.5713 -6.5711
1.1862 1.1869 1.2630 1.2684 1.5758 1.5784 1.7655 1.7764
2.1935 2.2259 2.2955 2.3296 2.3791 2.3901 2.3975 2.4147
2.9120 2.9173 3.0121 3.0541 3.1543 3.1744 3.2230 3.2299
3.2987 3.3009 3.4866 3.5136 3.8173 3.8330 3.9832 4.0045
4.0703 4.0788 4.1408 4.1788 4.4544 4.4987 4.5769 4.6349
4.6769 4.6901 4.9555 4.9594 5.5528 5.5539 5.6237 5.6317
6.1779 6.1864 6.2593 6.2763 6.5372 6.5396 6.7029 6.7144
6.8997 6.9115 7.0216 7.0349 7.1016 7.1022 7.1856 7.1947
10.9010 10.9163
k = 0.0862-0.0000 0.4995 ( 6006 PWs) bands (ev):
-7.3307 -7.3305 -7.0005 -7.0001 -6.5814 -6.5812 -6.5742 -6.5738
1.1934 1.1947 1.2590 1.2662 1.5753 1.5786 1.7603 1.7738
2.1846 2.2238 2.2899 2.3310 2.3784 2.3903 2.3971 2.4167
2.9044 2.9109 3.0004 3.0519 3.1427 3.1667 3.2062 3.2167
3.3006 3.3050 3.4925 3.5260 3.8100 3.8277 3.9796 4.0048
4.0719 4.0827 4.1432 4.1867 4.4558 4.5025 4.5946 4.6585
4.6890 4.7060 4.9544 4.9591 5.5569 5.5584 5.6287 5.6384
6.1712 6.1815 6.2513 6.2717 6.5300 6.5329 6.7031 6.7168
6.8944 6.9085 7.0233 7.0471 7.0871 7.0963 7.1985 7.2073
10.9349 10.9535
k = 0.1034-0.0000 0.4995 ( 6002 PWs) bands (ev):
-7.3251 -7.3248 -6.9971 -6.9966 -6.5875 -6.5872 -6.5775 -6.5771
1.2016 1.2042 1.2544 1.2641 1.5749 1.5789 1.7543 1.7705
2.1744 2.2187 2.2858 2.3324 2.3780 2.3894 2.3983 2.4189
2.8953 2.9028 2.9879 3.0479 3.1301 3.1571 3.1876 3.2020
3.3029 3.3096 3.4990 3.5392 3.8022 3.8210 3.9757 4.0043
4.0735 4.0870 4.1473 4.1946 4.4583 4.5045 4.6181 4.6849
4.7039 4.7248 4.9532 4.9586 5.5619 5.5640 5.6351 5.6462
6.1636 6.1754 6.2423 6.2658 6.5217 6.5250 6.7042 6.7197
6.8894 6.9055 7.0189 7.0613 7.0674 7.0950 7.2148 7.2232
10.9763 10.9976
k = 0.1207-0.0000 0.4995 ( 6000 PWs) bands (ev):
-7.3185 -7.3182 -6.9932 -6.9926 -6.5947 -6.5944 -6.5814 -6.5809
1.2102 1.2152 1.2493 1.2626 1.5743 1.5791 1.7477 1.7665
2.1628 2.2104 2.2836 2.3338 2.3777 2.3880 2.4004 2.4212
2.8845 2.8929 2.9746 3.0423 3.1169 3.1457 3.1675 3.1867
3.3053 3.3144 3.5058 3.5526 3.7943 3.8132 3.9716 4.0028
4.0754 4.0915 4.1529 4.2022 4.4619 4.5057 4.6455 4.7120
4.7231 4.7466 4.9521 4.9581 5.5676 5.5704 5.6429 5.6552
6.1554 6.1684 6.2325 6.2586 6.5124 6.5162 6.7063 6.7233
6.8848 6.9027 7.0057 7.0439 7.0774 7.1004 7.2334 7.2415
11.0245 11.0480
k = 0.1379-0.0000 0.4995 ( 6000 PWs) bands (ev):
-7.3110 -7.3106 -6.9887 -6.9880 -6.6030 -6.6026 -6.5858 -6.5852
1.2179 1.2276 1.2439 1.2632 1.5738 1.5792 1.7404 1.7619
2.1501 2.1991 2.2835 2.3354 2.3776 2.3867 2.4029 2.4237
2.8720 2.8809 2.9610 3.0351 3.1033 3.1326 3.1466 3.1711
3.3079 3.3194 3.5126 3.5660 3.7865 3.8043 3.9670 4.0003
4.0775 4.0962 4.1595 4.2095 4.4661 4.5069 4.6748 4.7337
4.7520 4.7715 4.9511 4.9575 5.5740 5.5776 5.6522 5.6653
6.1467 6.1606 6.2221 6.2503 6.5023 6.5067 6.7096 6.7275
6.8808 6.9005 6.9855 7.0179 7.0949 7.1115 7.2534 7.2615
11.0791 11.1038
k = 0.1552-0.0000 0.4995 ( 6000 PWs) bands (ev):
-7.3025 -7.3021 -6.9836 -6.9829 -6.6123 -6.6118 -6.5908 -6.5900
1.2227 1.2369 1.2427 1.2677 1.5731 1.5794 1.7327 1.7568
2.1361 2.1852 2.2849 2.3374 2.3776 2.3859 2.4055 2.4264
2.8578 2.8667 2.9471 3.0264 3.0895 3.1176 3.1254 3.1561
3.3109 3.3248 3.5192 3.5791 3.7791 3.7949 3.9621 3.9967
4.0803 4.1010 4.1665 4.2162 4.4712 4.5085 4.7045 4.7530
4.7866 4.7996 4.9503 4.9570 5.5809 5.5856 5.6628 5.6763
6.1378 6.1524 6.2113 6.2412 6.4917 6.4965 6.7138 6.7324
6.8774 6.8989 6.9610 6.9902 7.1134 7.1260 7.2744 7.2825
11.1396 11.1612
k = 0.1724-0.0000 0.4995 ( 5996 PWs) bands (ev):
-7.2931 -7.2926 -6.9780 -6.9772 -6.6226 -6.6220 -6.5962 -6.5953
1.2238 1.2319 1.2568 1.2769 1.5724 1.5795 1.7247 1.7515
2.1211 2.1694 2.2873 2.3397 2.3778 2.3856 2.4085 2.4294
2.8418 2.8501 2.9333 3.0161 3.0750 3.1009 3.1048 3.1419
3.3140 3.3301 3.5254 3.5918 3.7723 3.7850 3.9568 3.9921
4.0837 4.1060 4.1735 4.2222 4.4768 4.5107 4.7332 4.7722
4.8239 4.8309 4.9498 4.9565 5.5883 5.5943 5.6747 5.6883
6.1290 6.1440 6.2004 6.2315 6.4804 6.4860 6.7190 6.7378
6.8741 6.8973 6.9350 6.9624 7.1327 7.1426 7.2959 7.3041
11.2052 11.2114
k = 0.1897-0.0000 0.4995 ( 6004 PWs) bands (ev):
-7.2828 -7.2823 -6.9719 -6.9711 -6.6338 -6.6332 -6.6021 -6.6012
1.2220 1.2261 1.2726 1.2899 1.5715 1.5796 1.7167 1.7461
2.1053 2.1523 2.2906 2.3424 2.3782 2.3858 2.4115 2.4327
2.8238 2.8308 2.9199 3.0042 3.0592 3.0830 3.0863 3.1286
3.3174 3.3355 3.5313 3.6039 3.7661 3.7750 3.9512 3.9867
4.0876 4.1109 4.1802 4.2276 4.4830 4.5136 4.7600 4.7911
4.8629 4.8650 4.9501 4.9561 5.5960 5.6035 5.6877 5.7009
6.1205 6.1356 6.1895 6.2213 6.4688 6.4750 6.7246 6.7433
6.8693 6.8908 6.9139 6.9369 7.1525 7.1604 7.3175 7.3258
11.2587 11.2746
k = 0.2069-0.0000 0.4995 ( 6012 PWs) bands (ev):
-7.2717 -7.2711 -6.9653 -6.9644 -6.6459 -6.6452 -6.6085 -6.6075
1.2187 1.2203 1.2890 1.3051 1.5706 1.5797 1.7090 1.7410
2.0889 2.1343 2.2944 2.3455 2.3787 2.3866 2.4148 2.4363
2.8036 2.8087 2.9068 2.9909 3.0414 3.0643 3.0709 3.1161
3.3210 3.3409 3.5367 3.6153 3.7606 3.7650 3.9453 3.9804
4.0921 4.1159 4.1865 4.2321 4.4898 4.5173 4.7843 4.8094
4.9005 4.9028 4.9519 4.9560 5.6040 5.6131 5.7017 5.7141
6.1127 6.1277 6.1789 6.2111 6.4567 6.4638 6.7297 6.7476
6.8601 6.8696 6.9094 6.9185 7.1726 7.1790 7.3390 7.3474
11.3057 11.3321
k = 0.2241-0.0000 0.4995 ( 6010 PWs) bands (ev):
-7.2597 -7.2591 -6.9582 -6.9572 -6.6589 -6.6581 -6.6154 -6.6142
1.2148 1.2149 1.3058 1.3213 1.5696 1.5797 1.7021 1.7366
2.0722 2.1157 2.2986 2.3488 2.3794 2.3880 2.4184 2.4403
2.7812 2.7838 2.8943 2.9760 3.0226 3.0455 3.0584 3.1042
3.3248 3.3460 3.5417 3.6260 3.7552 3.7561 3.9393 3.9737
4.0970 4.1207 4.1922 4.2359 4.4971 4.5217 4.8060 4.8267
4.9317 4.9432 4.9564 4.9601 5.6121 5.6230 5.7165 5.7277
6.1059 6.1206 6.1689 6.2010 6.4444 6.4523 6.7322 6.7486
6.8456 6.8456 6.9109 6.9122 7.1927 7.1980 7.3600 7.3686
11.3519 11.3746
k = 0.2414-0.0000 0.4995 ( 6018 PWs) bands (ev):
-7.2470 -7.2464 -6.9507 -6.9497 -6.6727 -6.6718 -6.6226 -6.6215
1.2097 1.2109 1.3225 1.3378 1.5684 1.5797 1.6964 1.7334
2.0553 2.0969 2.3031 2.3524 2.3802 2.3898 2.4222 2.4445
2.7561 2.7563 2.8824 2.9597 3.0041 3.0267 3.0480 3.0930
3.3287 3.3511 3.5464 3.6357 3.7458 3.7522 3.9332 3.9665
4.1022 4.1255 4.1974 4.2390 4.5047 4.5267 4.8248 4.8425
4.9448 4.9571 4.9836 4.9877 5.6201 5.6330 5.7318 5.7414
6.1004 6.1145 6.1598 6.1914 6.4318 6.4407 6.7279 6.7414
6.8280 6.8333 6.9115 6.9175 7.2127 7.2170 7.3804 7.3890
11.3967 11.4138
k = 0.2586-0.0000 0.4995 ( 6016 PWs) bands (ev):
-7.2335 -7.2329 -6.9428 -6.9417 -6.6872 -6.6863 -6.6303 -6.6291
1.2049 1.2070 1.3385 1.3538 1.5673 1.5797 1.6926 1.7318
2.0386 2.0781 2.3078 2.3563 2.3811 2.3920 2.4264 2.4491
2.7258 2.7290 2.8711 2.9424 2.9867 3.0084 3.0389 3.0823
3.3326 3.3558 3.5508 3.6445 3.7370 3.7491 3.9270 3.9591
4.1076 4.1301 4.2020 4.2414 4.5128 4.5324 4.8409 4.8564
4.9498 4.9587 5.0231 5.0242 5.6278 5.6427 5.7471 5.7548
6.0966 6.1099 6.1518 6.1826 6.4192 6.4290 6.7130 6.7230
6.8217 6.8303 6.9166 6.9248 7.2324 7.2358 7.4000 7.4085
11.4393 11.4495
k = 0.2759-0.0000 0.4995 ( 6028 PWs) bands (ev):
-7.2194 -7.2187 -6.9345 -6.9333 -6.7023 -6.7014 -6.6383 -6.6370
1.2007 1.2034 1.3534 1.3685 1.5661 1.5795 1.6916 1.7324
2.0222 2.0595 2.3128 2.3603 2.3821 2.3945 2.4311 2.4540
2.6931 2.6992 2.8603 2.9245 2.9706 2.9907 3.0309 3.0722
3.3366 3.3602 3.5550 3.6521 3.7290 3.7467 3.9208 3.9514
4.1130 4.1345 4.2060 4.2430 4.5210 4.5386 4.8541 4.8682
4.9542 4.9610 5.0613 5.0614 5.6352 5.6519 5.7620 5.7678
6.0946 6.1071 6.1452 6.1748 6.4064 6.4172 6.6890 6.6961
6.8255 6.8354 6.9247 6.9336 7.2516 7.2543 7.4185 7.4269
11.4788 11.4812
k = 0.2931-0.0000 0.4995 ( 6026 PWs) bands (ev):
-7.2047 -7.2039 -6.9259 -6.9247 -6.7181 -6.7171 -6.6467 -6.6454
1.1970 1.2002 1.3665 1.3811 1.5649 1.5791 1.6941 1.7359
2.0065 2.0415 2.3179 2.3644 2.3830 2.3970 2.4362 2.4591
2.6583 2.6671 2.8502 2.9067 2.9557 2.9737 3.0238 3.0627
3.3407 3.3643 3.5591 3.6582 3.7220 3.7448 3.9149 3.9437
4.1185 4.1387 4.2095 4.2441 4.5294 4.5451 4.8645 4.8778
4.9593 4.9642 5.0974 5.0982 5.6419 5.6604 5.7761 5.7799
6.0949 6.1063 6.1404 6.1685 6.3936 6.4054 6.6602 6.6652
6.8353 6.8453 6.9349 6.9439 7.2700 7.2722 7.4358 7.4440
11.5086 11.5146
k = 0.3103-0.0000 0.4995 ( 6022 PWs) bands (ev):
-7.1894 -7.1886 -6.9170 -6.9158 -6.7343 -6.7334 -6.6553 -6.6540
1.1940 1.1975 1.3774 1.3910 1.5639 1.5785 1.7008 1.7427
1.9915 2.0241 2.3231 2.3685 2.3839 2.3994 2.4418 2.4643
2.6218 2.6331 2.8407 2.8894 2.9419 2.9576 3.0176 3.0538
3.3446 3.3679 3.5631 3.6625 3.7166 3.7434 3.9092 3.9362
4.1239 4.1427 4.2126 4.2446 4.5379 4.5519 4.8725 4.8852
4.9649 4.9681 5.1316 5.1329 5.6480 5.6676 5.7890 5.7909
6.0975 6.1077 6.1375 6.1638 6.3808 6.3934 6.6295 6.6327
6.8482 6.8576 6.9468 6.9554 7.2876 7.2893 7.4518 7.4598
11.5314 11.5457
k = 0.3276-0.0000 0.4995 ( 6022 PWs) bands (ev):
-7.1736 -7.1728 -6.9079 -6.9066 -6.7510 -6.7500 -6.6642 -6.6628
1.1916 1.1953 1.3856 1.3979 1.5630 1.5776 1.7121 1.7531
1.9776 2.0075 2.3283 2.3725 2.3847 2.4016 2.4478 2.4694
2.5839 2.5976 2.8318 2.8730 2.9291 2.9424 3.0121 3.0454
3.3486 3.3711 3.5672 3.6644 3.7133 3.7423 3.9038 3.9289
4.1290 4.1463 4.2152 4.2447 4.5462 4.5587 4.8784 4.8905
4.9709 4.9726 5.1635 5.1654 5.6531 5.6735 5.8005 5.8008
6.1026 6.1115 6.1368 6.1611 6.3681 6.3815 6.5982 6.5998
6.8626 6.8711 6.9599 6.9679 7.3042 7.3055 7.4663 7.4740
11.5494 11.5712
k = 0.3448-0.0000 0.4995 ( 6020 PWs) bands (ev):
-7.1575 -7.1567 -6.8986 -6.8973 -6.7680 -6.7670 -6.6732 -6.6718
1.1898 1.1936 1.3911 1.4017 1.5624 1.5765 1.7279 1.7672
1.9648 1.9920 2.3336 2.3764 2.3853 2.4034 2.4542 2.4740
2.5453 2.5614 2.8234 2.8575 2.9172 2.9281 3.0074 3.0377
3.3524 3.3738 3.5714 3.6637 3.7122 3.7414 3.8989 3.9218
4.1340 4.1496 4.2176 4.2444 4.5544 4.5653 4.8827 4.8943
4.9768 4.9773 5.1930 5.1953 5.6572 5.6777 5.8093 5.8102
6.1099 6.1175 6.1383 6.1605 6.3555 6.3695 6.5673 6.5674
6.8778 6.8853 6.9740 6.9811 7.3196 7.3206 7.4793 7.4866
11.5627 11.5904
k = 0.3621-0.0000 0.4995 ( 6020 PWs) bands (ev):
-7.1412 -7.1404 -6.8892 -6.8880 -6.7851 -6.7841 -6.6823 -6.6809
1.1886 1.1924 1.3940 1.4028 1.5621 1.5752 1.7478 1.7849
1.9533 1.9777 2.3389 2.3801 2.3858 2.4046 2.4606 2.4761
2.5067 2.5269 2.8156 2.8431 2.9063 2.9150 3.0034 3.0305
3.3560 3.3760 3.5756 3.6608 3.7130 3.7407 3.8944 3.9151
4.1387 4.1526 4.2197 4.2438 4.5622 4.5718 4.8859 4.8967
4.9819 4.9824 5.2197 5.2224 5.6602 5.6802 5.8166 5.8181
6.1193 6.1256 6.1420 6.1621 6.3430 6.3575 6.5359 6.5371
6.8931 6.8995 6.9885 6.9947 7.3337 7.3345 7.4908 7.4976
11.5717 11.6027
k = 0.3793-0.0000 0.4995 ( 6024 PWs) bands (ev):
-7.1248 -7.1240 -6.8799 -6.8786 -6.8023 -6.8013 -6.6914 -6.6900
1.1881 1.1917 1.3946 1.4016 1.5619 1.5739 1.7710 1.8054
1.9433 1.9647 2.3441 2.3829 2.3862 2.4048 2.4616 2.4666
2.4745 2.5038 2.8083 2.8300 2.8964 2.9031 3.0001 3.0240
3.3595 3.3777 3.5801 3.6564 3.7151 3.7401 3.8904 3.9088
4.1430 4.1551 4.2216 4.2429 4.5694 4.5778 4.8884 4.8983
4.9863 4.9874 5.2436 5.2465 5.6623 5.6811 5.8225 5.8245
6.1303 6.1354 6.1478 6.1658 6.3308 6.3455 6.5056 6.5079
6.9079 6.9133 7.0030 7.0083 7.3465 7.3471 7.5007 7.5069
11.5770 11.6086
k = 0.3966-0.0000 0.4995 ( 6028 PWs) bands (ev):
-7.1085 -7.1077 -6.8708 -6.8695 -6.8192 -6.8182 -6.7004 -6.6990
1.1880 1.1914 1.3935 1.3989 1.5620 1.5725 1.7965 1.8280
1.9351 1.9532 2.3491 2.3841 2.3866 2.4010 2.4324 2.4384
2.4766 2.5003 2.8017 2.8181 2.8876 2.8925 2.9975 3.0181
3.3628 3.3789 3.5847 3.6511 3.7178 3.7394 3.8871 3.9031
4.1469 4.1573 4.2234 4.2417 4.5761 4.5832 4.8903 4.8991
4.9902 4.9917 5.2645 5.2676 5.6635 5.6806 5.8274 5.8293
6.1424 6.1465 6.1557 6.1715 6.3188 6.3335 6.4769 6.4801
6.9218 6.9262 7.0171 7.0214 7.3577 7.3581 7.5092 7.5147
11.5795 11.6093
k = 0.4138-0.0000 0.4995 ( 6026 PWs) bands (ev):
-7.0927 -7.0919 -6.8620 -6.8608 -6.8355 -6.8346 -6.7089 -6.7077
1.1883 1.1914 1.3914 1.3954 1.5622 1.5712 1.8229 1.8514
1.9288 1.9435 2.3539 2.3809 2.3817 2.3841 2.4109 2.4162
2.4831 2.5025 2.7957 2.8077 2.8800 2.8834 2.9956 3.0128
3.3659 3.3797 3.5895 3.6454 3.7206 3.7387 3.8845 3.8979
4.1504 4.1590 4.2250 4.2405 4.5821 4.5880 4.8919 4.8994
4.9937 4.9953 5.2825 5.2855 5.6641 5.6790 5.8312 5.8330
6.1552 6.1579 6.1655 6.1790 6.3073 6.3216 6.4501 6.4539
6.9345 6.9379 7.0302 7.0337 7.3673 7.3677 7.5161 7.5209
11.5803 11.6066
k = 0.4310-0.0000 0.4995 ( 6028 PWs) bands (ev):
-7.0777 -7.0769 -6.8541 -6.8531 -6.8506 -6.8496 -6.7169 -6.7158
1.1889 1.1915 1.3888 1.3916 1.5626 1.5699 1.8487 1.8738
1.9249 1.9361 2.3494 2.3590 2.3590 2.3829 2.4023 2.4130
2.4895 2.5053 2.7906 2.7988 2.8737 2.8758 2.9944 3.0082
3.3688 3.3801 3.5945 3.6395 3.7234 3.7378 3.8825 3.8933
4.1534 4.1603 4.2267 4.2391 4.5873 4.5920 4.8931 4.8994
4.9965 4.9981 5.2975 5.3003 5.6643 5.6767 5.8341 5.8356
6.1679 6.1686 6.1772 6.1875 6.2966 6.3100 6.4259 6.4299
6.9454 6.9481 7.0418 7.0444 7.3753 7.3756 7.5217 7.5256
11.5801 11.6019
k = 0.4483-0.0000 0.4995 ( 6020 PWs) bands (ev):
-7.0642 -7.0635 -6.8648 -6.8641 -6.8463 -6.8453 -6.7240 -6.7230
1.1897 1.1917 1.3862 1.3881 1.5632 1.5687 1.8713 1.8919
1.9245 1.9326 2.3202 2.3300 2.3631 2.3814 2.4027 2.4118
2.4954 2.5075 2.7863 2.7917 2.8686 2.8699 2.9938 3.0043
3.3714 3.3800 3.5997 3.6336 3.7261 3.7369 3.8813 3.8894
4.1560 4.1611 4.2282 4.2376 4.5915 4.5950 4.8943 4.8991
4.9988 5.0001 5.3094 5.3117 5.6645 5.6740 5.8362 5.8374
6.1786 6.1798 6.1896 6.1966 6.2870 6.2989 6.4050 6.4087
6.9544 6.9563 7.0515 7.0534 7.3816 7.3818 7.5261 7.5291
11.5799 11.5966
k = 0.4655-0.0000 0.4995 ( 6024 PWs) bands (ev):
-7.0531 -7.0526 -6.8760 -6.8755 -6.8404 -6.8397 -6.7296 -6.7288
1.1904 1.1919 1.3841 1.3852 1.5638 1.5675 1.8873 1.9010
1.9289 1.9353 2.2968 2.3046 2.3671 2.3794 2.4045 2.4108
2.5004 2.5087 2.7832 2.7864 2.8650 2.8657 2.9939 3.0009
3.3737 3.3795 3.6050 3.6277 3.7285 3.7357 3.8807 3.8862
4.1581 4.1615 4.2298 4.2361 4.5947 4.5971 4.8954 4.8986
5.0005 5.0014 5.3181 5.3197 5.6648 5.6713 5.8377 5.8384
6.1874 6.1896 6.2007 6.2048 6.2794 6.2888 6.3884 6.3914
6.9611 6.9623 7.0589 7.0600 7.3861 7.3862 7.5292 7.5312
11.5801 11.5914
k = 0.4828-0.0000 0.4995 ( 6024 PWs) bands (ev):
-7.0455 -7.0453 -6.8835 -6.8832 -6.8364 -6.8360 -6.7332 -6.7328
1.1911 1.1918 1.3828 1.3833 1.5646 1.5664 1.8956 1.9020
1.9367 1.9409 2.2821 2.2865 2.3708 2.3769 2.4064 2.4096
2.5044 2.5086 2.7815 2.7830 2.8629 2.8631 2.9947 2.9982
3.3756 3.3785 3.6104 3.6218 3.7307 3.7343 3.8810 3.8837
4.1597 4.1614 4.2313 4.2345 4.5969 4.5981 4.8964 4.8980
5.0016 5.0021 5.3235 5.3244 5.6655 5.6688 5.8386 5.8390
6.1942 6.1960 6.2089 6.2107 6.2752 6.2805 6.3778 6.3794
6.9653 6.9659 7.0635 7.0641 7.3888 7.3889 7.5312 7.5323
11.5813 11.5869
k = 0.5000-0.0000 0.4995 ( 6024 PWs) bands (ev):
-7.0428 -7.0428 -6.8860 -6.8860 -6.8349 -6.8349 -6.7343 -6.7343
1.1916 1.1916 1.3825 1.3825 1.5655 1.5655 1.8998 1.8998
1.9420 1.9420 2.2785 2.2785 2.3741 2.3741 2.4081 2.4081
2.5072 2.5072 2.7814 2.7814 2.8622 2.8622 2.9961 2.9961
3.3773 3.3773 3.6160 3.6160 3.7326 3.7326 3.8820 3.8820
4.1608 4.1608 4.2329 4.2329 4.5981 4.5981 4.8972 4.8972
5.0022 5.0022 5.3257 5.3257 5.6669 5.6669 5.8390 5.8390
6.1975 6.1975 6.2124 6.2124 6.2755 6.2755 6.3746 6.3746
6.9669 6.9669 7.0653 7.0653 7.3898 7.3898 7.5323 7.5323
11.5835 11.5835
k = 0.5000-0.0000 0.4995 ( 6024 PWs) bands (ev):
-7.0428 -7.0428 -6.8860 -6.8860 -6.8349 -6.8349 -6.7343 -6.7343
1.1916 1.1916 1.3825 1.3825 1.5655 1.5655 1.8998 1.8998
1.9420 1.9420 2.2785 2.2785 2.3741 2.3741 2.4081 2.4081
2.5072 2.5072 2.7814 2.7814 2.8622 2.8622 2.9961 2.9961
3.3773 3.3773 3.6160 3.6160 3.7326 3.7326 3.8820 3.8820
4.1608 4.1608 4.2329 4.2329 4.5981 4.5981 4.8972 4.8972
5.0022 5.0022 5.3257 5.3257 5.6669 5.6669 5.8390 5.8390
6.1975 6.1975 6.2124 6.2124 6.2755 6.2755 6.3746 6.3746
6.9669 6.9669 7.0653 7.0653 7.3898 7.3898 7.5323 7.5323
11.5835 11.5835
k = 0.5000 0.0172 0.4995 ( 6032 PWs) bands (ev):
-7.0425 -7.0425 -6.8860 -6.8859 -6.8349 -6.8348 -6.7345 -6.7345
1.1903 1.1903 1.3780 1.3821 1.5609 1.5659 1.8658 1.8729
1.9681 1.9757 2.2784 2.2820 2.3723 2.3779 2.4047 2.4122
2.5033 2.5115 2.7778 2.7860 2.8567 2.8682 2.9956 2.9958
3.3767 3.3790 3.6135 3.6184 3.7300 3.7360 3.8809 3.8843
4.1605 4.1613 4.2313 4.2334 4.5971 4.6006 4.8955 4.8993
5.0017 5.0039 5.3246 5.3254 5.6613 5.6708 5.8343 5.8419
6.1911 6.1970 6.2191 6.2195 6.2741 6.2764 6.3754 6.3822
6.9676 6.9678 7.0655 7.0659 7.3897 7.3902 7.5318 7.5322
11.5774 11.5779
k = 0.5000 0.0344 0.4995 ( 6048 PWs) bands (ev):
-7.0417 -7.0417 -6.8858 -6.8856 -6.8348 -6.8346 -6.7350 -6.7349
1.1863 1.1863 1.3690 1.3769 1.5524 1.5621 1.8206 1.8280
2.0116 2.0200 2.2819 2.2891 2.3727 2.3836 2.4020 2.4169
2.5000 2.5164 2.7752 2.7915 2.8518 2.8745 2.9944 2.9948
3.3774 3.3820 3.6108 3.6204 3.7283 3.7402 3.8810 3.8878
4.1605 4.1620 4.2287 4.2329 4.5979 4.6049 4.8941 4.9016
5.0024 5.0069 5.3221 5.3238 5.6545 5.6731 5.8279 5.8430
6.1855 6.1937 6.2328 6.2354 6.2733 6.2771 6.3845 6.3970
6.9698 6.9702 7.0666 7.0672 7.3901 7.3911 7.5306 7.5315
11.5598 11.5608
k = 0.5000 0.0517 0.4995 ( 6028 PWs) bands (ev):
-7.0403 -7.0403 -6.8854 -6.8851 -6.8347 -6.8344 -6.7358 -6.7357
1.1798 1.1798 1.3558 1.3670 1.5405 1.5542 1.7742 1.7816
2.0558 2.0646 2.2887 2.2994 2.3749 2.3911 2.4002 2.4221
2.4974 2.5216 2.7736 2.7981 2.8473 2.8814 2.9925 2.9932
3.3795 3.3863 3.6081 3.6223 3.7276 3.7453 3.8825 3.8925
4.1608 4.1630 4.2252 4.2315 4.6004 4.6107 4.8932 4.9042
5.0045 5.0110 5.3185 5.3210 5.6470 5.6738 5.8204 5.8423
6.1826 6.1920 6.2505 6.2562 6.2741 6.2786 6.4011 6.4178
6.9738 6.9743 7.0687 7.0695 7.3909 7.3925 7.5290 7.5302
11.5310 11.5324
k = 0.5000 0.0689 0.4995 ( 6020 PWs) bands (ev):
-7.0384 -7.0384 -6.8849 -6.8845 -6.8346 -6.8341 -6.7369 -6.7369
1.1707 1.1708 1.3389 1.3528 1.5254 1.5423 1.7278 1.7352
2.0992 2.1084 2.2983 2.3126 2.3786 2.3995 2.3999 2.4279
2.4956 2.5273 2.7730 2.8056 2.8435 2.8885 2.9898 2.9908
3.3826 3.3914 3.6053 3.6238 3.7281 3.7510 3.8852 3.8981
4.1614 4.1641 4.2208 4.2291 4.6044 4.6181 4.8927 4.9070
5.0077 5.0159 5.3136 5.3169 5.6391 5.6733 5.8118 5.8400
6.1823 6.1922 6.2724 6.2770 6.2770 6.2857 6.4238 6.4436
6.9792 6.9797 7.0716 7.0725 7.3923 7.3942 7.5269 7.5284
11.4914 11.4932
k = 0.5000 0.0861 0.4995 ( 6012 PWs) bands (ev):
-7.0360 -7.0360 -6.8842 -6.8837 -6.8343 -6.8338 -6.7384 -6.7383
1.1594 1.1594 1.3187 1.3347 1.5076 1.5268 1.6819 1.6892
2.1413 2.1510 2.3105 2.3282 2.3832 2.4004 2.4096 2.4343
2.4947 2.5332 2.7732 2.8139 2.8401 2.8960 2.9865 2.9877
3.3867 3.3974 3.6025 3.6249 3.7298 3.7575 3.8892 3.9046
4.1623 4.1652 4.2155 4.2257 4.6100 4.6268 4.8925 4.9099
5.0118 5.0214 5.3076 5.3117 5.6315 5.6718 5.8027 5.8362
6.1843 6.1943 6.2825 6.2844 6.2984 6.3120 6.4515 6.4735
6.9862 6.9866 7.0753 7.0761 7.3942 7.3963 7.5242 7.5260
11.4415 11.4439
k = 0.5000 0.1033 0.4995 ( 6000 PWs) bands (ev):
-7.0331 -7.0330 -6.8834 -6.8828 -6.8340 -6.8334 -6.7401 -6.7401
1.1458 1.1458 1.2959 1.3133 1.4875 1.5081 1.6366 1.6440
2.1819 2.1920 2.3247 2.3457 2.3877 2.4037 2.4197 2.4412
2.4950 2.5396 2.7742 2.8230 2.8374 2.9037 2.9826 2.9839
3.3917 3.4040 3.5998 3.6256 3.7328 3.7648 3.8944 3.9120
4.1634 4.1664 4.2096 4.2216 4.6170 4.6369 4.8927 4.9127
5.0167 5.0272 5.3006 5.3055 5.6247 5.6700 5.7934 5.8314
6.1884 6.1983 6.2908 6.2921 6.3281 6.3439 6.4833 6.5069
6.9946 6.9948 7.0796 7.0802 7.3967 7.3989 7.5212 7.5232
11.3819 11.3851
k = 0.5000 0.1206 0.4995 ( 6016 PWs) bands (ev):
-7.0296 -7.0296 -6.8825 -6.8818 -6.8337 -6.8330 -6.7422 -6.7422
1.1301 1.1302 1.2709 1.2892 1.4655 1.4868 1.5922 1.5997
2.2206 2.2311 2.3405 2.3643 2.3916 2.4097 2.4297 2.4489
2.4964 2.5461 2.7759 2.8320 2.8359 2.9114 2.9779 2.9795
3.3973 3.4109 3.5970 3.6258 3.7372 3.7729 3.9005 3.9199
4.1645 4.1673 4.2030 4.2168 4.6253 4.6480 4.8930 4.9153
5.0221 5.0330 5.2928 5.2985 5.6191 5.6680 5.7840 5.8256
6.1945 6.2042 6.3018 6.3022 6.3613 6.3788 6.5186 6.5431
7.0041 7.0043 7.0846 7.0847 7.3997 7.4018 7.5177 7.5199
11.3131 11.3168
k = 0.5000 0.1378 0.4995 ( 6012 PWs) bands (ev):
-7.0257 -7.0256 -6.8814 -6.8806 -6.8333 -6.8325 -6.7447 -6.7446
1.1127 1.1127 1.2444 1.2630 1.4419 1.4633 1.5490 1.5566
2.2572 2.2682 2.3573 2.3825 2.3968 2.4178 2.4389 2.4576
2.4994 2.5530 2.7783 2.8328 2.8435 2.9191 2.9728 2.9746
3.4034 3.4181 3.5944 3.6256 3.7432 3.7817 3.9076 3.9285
4.1657 4.1679 4.1960 4.2117 4.6349 4.6602 4.8935 4.9176
5.0278 5.0385 5.2843 5.2908 5.6154 5.6665 5.7749 5.8192
6.2026 6.2121 6.3151 6.3157 6.3975 6.4164 6.5567 6.5819
7.0146 7.0152 7.0896 7.0901 7.4034 7.4051 7.5141 7.5163
11.2374 11.2406
k = 0.5000 0.1550 0.4995 ( 6012 PWs) bands (ev):
-7.0213 -7.0212 -6.8802 -6.8793 -6.8329 -6.8320 -6.7474 -6.7474
1.0937 1.0937 1.2166 1.2352 1.4173 1.4380 1.5071 1.5149
2.2913 2.3028 2.3747 2.3939 2.4094 2.4274 2.4472 2.4672
2.5040 2.5602 2.7813 2.8316 2.8540 2.9267 2.9671 2.9692
3.4098 3.4252 3.5918 3.6251 3.7507 3.7914 3.9155 3.9374
4.1665 4.1679 4.1891 4.2064 4.6455 4.6732 4.8941 4.9195
5.0334 5.0433 5.2755 5.2828 5.6136 5.6656 5.7663 5.8123
6.2126 6.2220 6.3307 6.3324 6.4364 6.4561 6.5971 6.6227
7.0260 7.0273 7.0947 7.0960 7.4076 7.4088 7.5104 7.5125
11.1569 11.1595
k = 0.5000 0.1722 0.4995 ( 6012 PWs) bands (ev):
-7.0164 -7.0163 -6.8789 -6.8779 -6.8324 -6.8315 -6.7505 -6.7504
1.0732 1.0733 1.1881 1.2064 1.3918 1.4116 1.4667 1.4747
2.3225 2.3347 2.3922 2.4003 2.4274 2.4389 2.4549 2.4776
2.5103 2.5675 2.7847 2.8307 2.8649 2.9339 2.9608 2.9635
3.4164 3.4321 3.5892 3.6241 3.7597 3.8019 3.9240 3.9467
4.1662 4.1670 4.1830 4.2015 4.6572 4.6870 4.8945 4.9207
5.0388 5.0472 5.2665 5.2748 5.6142 5.6656 5.7583 5.8050
6.2248 6.2341 6.3489 6.3517 6.4776 6.4975 6.6393 6.6651
7.0383 7.0404 7.0999 7.1022 7.4125 7.4129 7.5066 7.5085
11.0733 11.0755
k = 0.5000 0.1895 0.4995 ( 6016 PWs) bands (ev):
-7.0111 -7.0110 -6.8774 -6.8765 -6.8319 -6.8309 -6.7539 -6.7538
1.0518 1.0519 1.1593 1.1770 1.3659 1.3844 1.4279 1.4362
2.3495 2.3634 2.4077 2.4093 2.4425 2.4546 2.4627 2.4886
2.5181 2.5750 2.7886 2.8302 2.8758 2.9402 2.9542 2.9580
3.4229 3.4386 3.5868 3.6228 3.7703 3.8132 3.9329 3.9561
4.1631 4.1646 4.1796 4.1976 4.6696 4.7014 4.8946 4.9213
5.0436 5.0500 5.2575 5.2669 5.6170 5.6663 5.7511 5.7976
6.2390 6.2484 6.3696 6.3735 6.5204 6.5403 6.6825 6.7084
7.0515 7.0543 7.1054 7.1086 7.4173 7.4180 7.5031 7.5047
10.9878 10.9897
k = 0.5000 0.2067 0.4995 ( 6000 PWs) bands (ev):
-7.0054 -7.0053 -6.8760 -6.8749 -6.8314 -6.8304 -6.7576 -6.7576
1.0295 1.0297 1.1305 1.1474 1.3399 1.3567 1.3909 1.3995
2.3709 2.3885 2.4188 2.4253 2.4541 2.4714 2.4739 2.5000
2.5274 2.5827 2.7929 2.8300 2.8866 2.9430 2.9472 2.9553
3.4294 3.4447 3.5845 3.6212 3.7823 3.8253 3.9420 3.9656
4.1569 4.1605 4.1791 4.1948 4.6828 4.7163 4.8944 4.9210
5.0477 5.0516 5.2489 5.2595 5.6221 5.6678 5.7450 5.7901
6.2555 6.2652 6.3925 6.3977 6.5646 6.5840 6.7264 6.7520
7.0655 7.0688 7.1115 7.1152 7.4223 7.4240 7.5000 7.5010
10.9014 10.9030
k = 0.5000 0.2239 0.4995 ( 6000 PWs) bands (ev):
-6.9993 -6.9993 -6.8744 -6.8733 -6.8309 -6.8298 -6.7617 -6.7616
1.0067 1.0069 1.1020 1.1180 1.3140 1.3290 1.3556 1.3646
2.3855 2.4094 2.4347 2.4399 2.4649 2.4821 2.4936 2.5116
2.5379 2.5904 2.7973 2.8302 2.8972 2.9392 2.9400 2.9586
3.4356 3.4504 3.5823 3.6192 3.7954 3.8380 3.9512 3.9749
4.1492 4.1548 4.1799 4.1932 4.6965 4.7316 4.8934 4.9196
5.0508 5.0519 5.2408 5.2528 5.6292 5.6696 5.7401 5.7825
6.2743 6.2843 6.4176 6.4240 6.6095 6.6280 6.7699 6.7952
7.0804 7.0832 7.1187 7.1219 7.4275 7.4306 7.4975 7.4978
10.8149 10.8164
k = 0.5000 0.2411 0.4995 ( 5992 PWs) bands (ev):
-6.9929 -6.9928 -6.8728 -6.8717 -6.8304 -6.8293 -6.7660 -6.7660
0.9837 0.9840 1.0741 1.0891 1.2885 1.3016 1.3223 1.3317
2.3953 2.4254 2.4533 2.4535 2.4755 2.4948 2.5130 2.5232
2.5494 2.5981 2.8019 2.8307 2.9072 2.9326 2.9326 2.9639
3.4415 3.4555 3.5802 3.6171 3.8096 3.8513 3.9603 3.9841
4.1410 4.1480 4.1813 4.1924 4.7107 4.7472 4.8918 4.9173
5.0511 5.0529 5.2333 5.2469 5.6379 5.6713 5.7368 5.7751
6.2955 6.3060 6.4444 6.4522 6.6546 6.6720 6.8123 6.8370
7.0962 7.0965 7.1289 7.1289 7.4330 7.4375 7.4952 7.4958
10.7290 10.7304
k = 0.5000 0.2584 0.4995 ( 5988 PWs) bands (ev):
-6.9861 -6.9861 -6.8712 -6.8700 -6.8299 -6.8287 -6.7707 -6.7706
0.9608 0.9610 1.0470 1.0610 1.2636 1.2748 1.2909 1.3007
2.4027 2.4368 2.4667 2.4716 2.4866 2.5089 2.5315 2.5345
2.5620 2.6057 2.8065 2.8314 2.9160 2.9253 2.9260 2.9693
3.4470 3.4601 3.5783 3.6147 3.8246 3.8651 3.9692 3.9929
4.1327 4.1405 4.1827 4.1921 4.7252 4.7630 4.8892 4.9138
5.0491 5.0539 5.2268 5.2421 5.6478 5.6726 5.7353 5.7678
6.3191 6.3302 6.4729 6.4819 6.6992 6.7150 6.8526 6.8761
7.1065 7.1138 7.1367 7.1436 7.4387 7.4447 7.4935 7.4952
10.6446 10.6459
k = 0.5000 0.2756 0.4995 ( 6000 PWs) bands (ev):
-6.9791 -6.9790 -6.8695 -6.8683 -6.8295 -6.8282 -6.7757 -6.7756
0.9381 0.9384 1.0209 1.0339 1.2396 1.2488 1.2614 1.2716
2.4091 2.4447 2.4794 2.4869 2.4996 2.5235 2.5452 2.5491
2.5752 2.6131 2.8111 2.8323 2.9153 2.9177 2.9281 2.9743
3.4521 3.4641 3.5765 3.6121 3.8401 3.8791 3.9776 4.0012
4.1245 4.1326 4.1840 4.1920 4.7399 4.7789 4.8857 4.9093
5.0461 5.0538 5.2212 5.2383 5.6584 5.6730 5.7356 5.7606
6.3449 6.3569 6.5025 6.5130 6.7425 6.7563 6.8894 6.9110
7.1145 7.1314 7.1472 7.1632 7.4444 7.4519 7.4930 7.4959
10.5623 10.5635
k = 0.5000 0.2928 0.4995 ( 6000 PWs) bands (ev):
-6.9718 -6.9717 -6.8679 -6.8667 -6.8290 -6.8278 -6.7810 -6.7808
0.9162 0.9164 0.9961 1.0081 1.2168 1.2241 1.2340 1.2445
2.4151 2.4505 2.4915 2.4983 2.5149 2.5378 2.5554 2.5655
2.5887 2.6202 2.8157 2.8334 2.9081 2.9100 2.9362 2.9788
3.4568 3.4677 3.5750 3.6093 3.8560 3.8933 3.9855 4.0090
4.1166 4.1246 4.1852 4.1919 4.7546 4.7948 4.8814 4.9040
5.0422 5.0525 5.2169 5.2356 5.6692 5.6725 5.7377 5.7539
6.3731 6.3859 6.5332 6.5450 6.7834 6.7948 6.9219 6.9404
7.1222 7.1456 7.1652 7.1868 7.4499 7.4589 7.4940 7.4983
10.4827 10.4838
k = 0.5000 0.3100 0.4995 ( 6000 PWs) bands (ev):
-6.9643 -6.9642 -6.8663 -6.8651 -6.8286 -6.8273 -6.7865 -6.7864
0.8950 0.8953 0.9727 0.9836 1.1952 1.2007 1.2087 1.2193
2.4209 2.4551 2.5026 2.5077 2.5304 2.5514 2.5649 2.5807
2.6021 2.6270 2.8200 2.8346 2.9006 2.9024 2.9441 2.9827
3.4610 3.4709 3.5737 3.6065 3.8719 3.9075 3.9927 4.0160
4.1090 4.1168 4.1862 4.1919 4.7692 4.8106 4.8763 4.8981
5.0374 5.0502 5.2137 5.2338 5.6715 5.6797 5.7410 5.7477
6.4033 6.4172 6.5645 6.5777 6.8207 6.8291 6.9490 6.9633
7.1312 7.1574 7.1906 7.2136 7.4548 7.4654 7.4966 7.5026
10.4065 10.4075
k = 0.5000 0.3273 0.4995 ( 5996 PWs) bands (ev):
-6.9566 -6.9565 -6.8647 -6.8635 -6.8282 -6.8269 -6.7923 -6.7922
0.8750 0.8753 0.9509 0.9608 1.1750 1.1789 1.1854 1.1961
2.4266 2.4588 2.5128 2.5161 2.5449 2.5638 2.5742 2.5946
2.6148 2.6333 2.8242 2.8359 2.8931 2.8950 2.9514 2.9862
3.4649 3.4737 3.5727 3.6036 3.8877 3.9215 3.9992 4.0224
4.1018 4.1091 4.1871 4.1918 4.7835 4.8261 4.8706 4.8920
5.0319 5.0469 5.2118 5.2328 5.6702 5.6892 5.7424 5.7451
6.4352 6.4504 6.5962 6.6107 6.8531 6.8577 6.9701 6.9793
7.1429 7.1705 7.2201 7.2428 7.4589 7.4712 7.5012 7.5088
10.3342 10.3351
k = 0.5000 0.3445 0.4995 ( 5996 PWs) bands (ev):
-6.9487 -6.9486 -6.8632 -6.8620 -6.8278 -6.8266 -6.7984 -6.7983
0.8562 0.8565 0.9309 0.9397 1.1564 1.1589 1.1642 1.1748
2.4321 2.4620 2.5220 2.5238 2.5582 2.5747 2.5835 2.6072
2.6266 2.6390 2.8281 2.8373 2.8859 2.8878 2.9581 2.9890
3.4684 3.4761 3.5719 3.6006 3.9032 3.9352 4.0049 4.0278
4.0951 4.1018 4.1879 4.1917 4.7970 4.8411 4.8649 4.8861
5.0256 5.0426 5.2109 5.2323 5.6689 5.6970 5.7385 5.7495
6.4686 6.4850 6.6280 6.6437 6.8791 6.8793 6.9853 6.9890
7.1585 7.1865 7.2516 7.2734 7.4619 7.4760 7.5077 7.5170
10.2665 10.2674
k = 0.5000 0.3617 0.4995 ( 5988 PWs) bands (ev):
-6.9408 -6.9407 -6.8618 -6.8607 -6.8274 -6.8263 -6.8046 -6.8045
0.8390 0.8392 0.9126 0.9204 1.1395 1.1408 1.1452 1.1554
2.4375 2.4647 2.5303 2.5309 2.5702 2.5838 2.5931 2.6185
2.6371 2.6440 2.8316 2.8387 2.8790 2.8810 2.9642 2.9913
3.4715 3.4782 3.5714 3.5977 3.9182 3.9484 4.0096 4.0324
4.0890 4.0949 4.1884 4.1915 4.8094 4.8520 4.8628 4.8812
5.0185 5.0374 5.2111 5.2323 5.6679 5.7019 5.7372 5.7537
6.5031 6.5207 6.6595 6.6764 6.8932 6.8977 6.9934 6.9946
7.1786 7.2061 7.2835 7.3040 7.4635 7.4796 7.5160 7.5269
10.2039 10.2048
k = 0.5000 0.3789 0.4995 ( 5980 PWs) bands (ev):
-6.9328 -6.9327 -6.8604 -6.8594 -6.8271 -6.8261 -6.8111 -6.8110
0.8234 0.8236 0.8964 0.9031 1.1245 1.1246 1.1283 1.1381
2.4426 2.4669 2.5373 2.5377 2.5809 2.5914 2.6026 2.6283
2.6464 2.6485 2.8348 2.8401 2.8727 2.8746 2.9697 2.9931
3.4742 3.4800 3.5712 3.5948 3.9324 3.9610 4.0135 4.0359
4.0835 4.0886 4.1889 4.1912 4.8195 4.8494 4.8740 4.8785
5.0108 5.0313 5.2122 5.2325 5.6673 5.7030 5.7390 5.7577
6.5382 6.5570 6.6905 6.7083 6.8995 6.9086 6.9932 6.9987
7.2028 7.2293 7.3143 7.3333 7.4636 7.4818 7.5259 7.5380
10.1471 10.1478
k = 0.5000 0.3962 0.4995 ( 5976 PWs) bands (ev):
-6.9249 -6.9247 -6.8592 -6.8583 -6.8269 -6.8259 -6.8177 -6.8175
0.8096 0.8098 0.8821 0.8879 1.1106 1.1114 1.1135 1.1229
2.4475 2.4687 2.5431 2.5441 2.5902 2.5979 2.6114 2.6365
2.6525 2.6543 2.8376 2.8415 2.8670 2.8688 2.9744 2.9943
3.4765 3.4814 3.5712 3.5919 3.9458 3.9727 4.0163 4.0384
4.0787 4.0830 4.1891 4.1910 4.8262 4.8438 4.8793 4.8879
5.0025 5.0245 5.2139 5.2327 5.6672 5.7012 5.7431 5.7611
6.5733 6.5932 6.7207 6.7390 6.8991 6.9123 6.9892 6.9980
7.2297 7.2553 7.3429 7.3599 7.4621 7.4822 7.5370 7.5497
10.0965 10.0972
k = 0.5000 0.4134 0.4995 ( 5964 PWs) bands (ev):
-6.9171 -6.9169 -6.8581 -6.8573 -6.8266 -6.8258 -6.8243 -6.8241
0.7977 0.7979 0.8700 0.8748 1.0986 1.1003 1.1010 1.1098
2.4521 2.4699 2.5481 2.5495 2.5981 2.6035 2.6194 2.6427
2.6563 2.6608 2.8400 2.8427 2.8620 2.8637 2.9787 2.9951
3.4786 3.4826 3.5716 3.5892 3.9582 3.9833 4.0183 4.0398
4.0746 4.0780 4.1893 4.1907 4.8289 4.8383 4.8845 4.9018
4.9937 5.0169 5.2161 5.2328 5.6677 5.6978 5.7480 5.7638
6.6081 6.6287 6.7496 6.7682 6.8933 6.9096 6.9820 6.9935
7.2581 7.2826 7.3684 7.3828 7.4586 7.4805 7.5489 7.5613
10.0527 10.0533
k = 0.5000 0.4306 0.4995 ( 5960 PWs) bands (ev):
-6.9095 -6.9094 -6.8572 -6.8565 -6.8308 -6.8307 -6.8264 -6.8257
0.7879 0.7880 0.8601 0.8640 1.0888 1.0906 1.0913 1.0988
2.4562 2.4707 2.5524 2.5539 2.6047 2.6083 2.6265 2.6466
2.6603 2.6658 2.8419 2.8437 2.8578 2.8593 2.9824 2.9954
3.4803 3.4835 3.5723 3.5866 3.9694 3.9926 4.0196 4.0401
4.0711 4.0737 4.1894 4.1904 4.8286 4.8335 4.8930 4.9152
4.9844 5.0086 5.2186 5.2326 5.6687 5.6939 5.7529 5.7658
6.6418 6.6626 6.7769 6.7952 6.8835 6.9020 6.9724 6.9856
7.2863 7.3099 7.3900 7.4012 7.4533 7.4765 7.5608 7.5720
10.0162 10.0167
k = 0.5000 0.4478 0.4995 ( 5968 PWs) bands (ev):
-6.9025 -6.9024 -6.8564 -6.8559 -6.8370 -6.8369 -6.8262 -6.8257
0.7801 0.7802 0.8525 0.8553 1.0811 1.0825 1.0844 1.0900
2.4599 2.4709 2.5559 2.5572 2.6099 2.6121 2.6325 2.6483
2.6642 2.6694 2.8434 2.8445 2.8545 2.8557 2.9855 2.9952
3.4817 3.4841 3.5732 3.5840 3.9794 3.9997 4.0208 4.0393
4.0684 4.0703 4.1895 4.1901 4.8270 4.8296 4.9034 4.9276
4.9751 4.9997 5.2211 5.2320 5.6704 5.6897 5.7572 5.7671
6.6736 6.6939 6.8018 6.8187 6.8714 6.8910 6.9611 6.9752
7.3133 7.3356 7.4069 7.4146 7.4468 7.4703 7.5717 7.5809
9.9874 9.9878
k = 0.5000 0.4651 0.4995 ( 5980 PWs) bands (ev):
-6.8965 -6.8964 -6.8558 -6.8554 -6.8425 -6.8424 -6.8260 -6.8257
0.7746 0.7746 0.8471 0.8490 1.0757 1.0766 1.0798 1.0835
2.4631 2.4705 2.5585 2.5594 2.6136 2.6149 2.6376 2.6484
2.6677 2.6715 2.8445 2.8451 2.8522 2.8529 2.9882 2.9946
3.4828 3.4843 3.5744 3.5816 3.9881 4.0037 4.0228 4.0373
4.0664 4.0677 4.1895 4.1899 4.8253 4.8266 4.9145 4.9380
4.9668 4.9902 5.2236 5.2311 5.6725 5.6856 5.7609 5.7674
6.7024 6.7202 6.8220 6.8358 6.8608 6.8796 6.9499 6.9631
7.3379 7.3577 7.4174 7.4225 7.4414 7.4625 7.5809 7.5874
9.9665 9.9668
k = 0.5000 0.4823 0.4995 ( 6008 PWs) bands (ev):
-6.8921 -6.8921 -6.8554 -6.8552 -6.8465 -6.8465 -6.8259 -6.8257
0.7712 0.7712 0.8441 0.8450 1.0726 1.0730 1.0773 1.0792
2.4658 2.4695 2.5601 2.5606 2.6159 2.6165 2.6417 2.6471
2.6703 2.6723 2.8452 2.8454 2.8507 2.8511 2.9904 2.9936
3.4835 3.4843 3.5758 3.5794 3.9951 4.0037 4.0263 4.0343
4.0653 4.0659 4.1895 4.1897 4.8241 4.8246 4.9254 4.9418
4.9641 4.9803 5.2259 5.2297 5.6751 5.6817 5.7637 5.7670
6.7259 6.7376 6.8316 6.8403 6.8603 6.8729 6.9422 6.9511
7.3585 7.3721 7.4193 7.4241 7.4423 7.4545 7.5874 7.5908
9.9539 9.9541
k = 0.5000 0.4995 0.4995 ( 6008 PWs) bands (ev):
-6.8905 -6.8905 -6.8552 -6.8552 -6.8480 -6.8480 -6.8258 -6.8258
0.7701 0.7701 0.8434 0.8434 1.0716 1.0716 1.0771 1.0771
2.4679 2.4679 2.5609 2.5609 2.6169 2.6169 2.6449 2.6449
2.6719 2.6719 2.8454 2.8454 2.8504 2.8504 2.9922 2.9922
3.4840 3.4840 3.5775 3.5775 4.0005 4.0005 4.0305 4.0305
4.0651 4.0651 4.1896 4.1896 4.8238 4.8238 4.9355 4.9355
4.9707 4.9707 5.2280 5.2280 5.6782 5.6782 5.7657 5.7657
6.7397 6.7397 6.8352 6.8352 6.8682 6.8682 6.9426 6.9426
7.3721 7.3721 7.4210 7.4210 7.4477 7.4477 7.5908 7.5908
9.9498 9.9498
k = 0.5000 0.4995 0.4995 ( 6008 PWs) bands (ev):
-6.8905 -6.8905 -6.8552 -6.8552 -6.8480 -6.8480 -6.8258 -6.8258
0.7701 0.7701 0.8434 0.8434 1.0716 1.0716 1.0771 1.0771
2.4679 2.4679 2.5609 2.5609 2.6169 2.6169 2.6449 2.6449
2.6719 2.6719 2.8454 2.8454 2.8504 2.8504 2.9922 2.9922
3.4840 3.4840 3.5775 3.5775 4.0005 4.0005 4.0305 4.0305
4.0651 4.0651 4.1896 4.1896 4.8238 4.8238 4.9355 4.9355
4.9707 4.9707 5.2280 5.2280 5.6782 5.6782 5.7657 5.7657
6.7397 6.7397 6.8352 6.8352 6.8682 6.8682 6.9426 6.9426
7.3721 7.3721 7.4210 7.4210 7.4477 7.4477 7.5908 7.5908
9.9498 9.9498
k = 0.4828 0.4995 0.4995 ( 6000 PWs) bands (ev):
-6.8920 -6.8918 -6.8539 -6.8538 -6.8484 -6.8483 -6.8256 -6.8255
0.7705 0.7705 0.8453 0.8454 1.0716 1.0738 1.0771 1.0794
2.4664 2.4681 2.5593 2.5616 2.6136 2.6186 2.6433 2.6452
2.6700 2.6724 2.8445 2.8469 2.8497 2.8523 2.9932 2.9936
3.4819 3.4833 3.5788 3.5790 3.9981 4.0015 4.0292 4.0308
4.0639 4.0660 4.1886 4.1914 4.8215 4.8253 4.9325 4.9377
4.9692 4.9710 5.2273 5.2275 5.6782 5.6783 5.7657 5.7658
6.7386 6.7400 6.8326 6.8352 6.8664 6.8677 6.9402 6.9403
7.3687 7.3708 7.4171 7.4213 7.4448 7.4474 7.5906 7.5913
9.9504 9.9513
k = 0.4655 0.4995 0.4995 ( 5980 PWs) bands (ev):
-6.8959 -6.8956 -6.8505 -6.8502 -6.8494 -6.8493 -6.8250 -6.8249
0.7716 0.7717 0.8511 0.8512 1.0738 1.0782 1.0794 1.0838
2.4637 2.4670 2.5569 2.5616 2.6089 2.6183 2.6407 2.6441
2.6666 2.6713 2.8441 2.8485 2.8505 2.8553 2.9966 2.9972
3.4771 3.4798 3.5826 3.5830 3.9944 4.0011 4.0271 4.0303
4.0623 4.0667 4.1886 4.1941 4.8183 4.8259 4.9286 4.9392
4.9664 4.9701 5.2255 5.2258 5.6783 5.6784 5.7656 5.7657
6.7370 6.7398 6.8273 6.8323 6.8629 6.8651 6.9331 6.9333
7.3609 7.3646 7.4100 7.4176 7.4395 7.4442 7.5906 7.5918
9.9559 9.9570
k = 0.4483 0.4995 0.4995 ( 5972 PWs) bands (ev):
-6.9012 -6.9009 -6.8509 -6.8508 -6.8458 -6.8455 -6.8240 -6.8239
0.7738 0.7738 0.8605 0.8606 1.0782 1.0838 1.0847 1.0905
2.4597 2.4646 2.5537 2.5606 2.6029 2.6156 2.6376 2.6413
2.6620 2.6687 2.8443 2.8504 2.8524 2.8589 3.0021 3.0031
3.4703 3.4741 3.5885 3.5888 3.9893 3.9989 4.0242 4.0293
4.0602 4.0669 4.1895 4.1974 4.8142 4.8255 4.9238 4.9397
4.9623 4.9679 5.2224 5.2229 5.6783 5.6786 5.7653 5.7655
6.7345 6.7390 6.8190 6.8259 6.8583 6.8607 6.9214 6.9219
7.3488 7.3537 7.3993 7.4087 7.4329 7.4385 7.5907 7.5924
9.9685 9.9696
k = 0.4310 0.4995 0.4995 ( 5964 PWs) bands (ev):
-6.9074 -6.9071 -6.8529 -6.8528 -6.8405 -6.8401 -6.8229 -6.8228
0.7771 0.7771 0.8732 0.8735 1.0847 1.0905 1.0933 1.0993
2.4546 2.4609 2.5497 2.5588 2.5959 2.6107 2.6342 2.6370
2.6562 2.6647 2.8451 2.8526 2.8553 2.8629 3.0098 3.0110
3.4620 3.4667 3.5957 3.5957 3.9829 3.9950 4.0206 4.0278
4.0575 4.0668 4.1912 4.2011 4.8093 4.8242 4.9181 4.9395
4.9570 4.9647 5.2182 5.2188 5.6785 5.6788 5.7651 5.7652
6.7312 6.7375 6.8074 6.8154 6.8535 6.8548 6.9055 6.9066
7.3327 7.3383 7.3849 7.3944 7.4260 7.4311 7.5909 7.5929
9.9890 9.9900
k = 0.4138 0.4995 0.4995 ( 5972 PWs) bands (ev):
-6.9140 -6.9136 -6.8552 -6.8550 -6.8349 -6.8346 -6.8216 -6.8215
0.7818 0.7818 0.8891 0.8894 1.0934 1.0994 1.1040 1.1101
2.4485 2.4560 2.5448 2.5559 2.5880 2.6038 2.6304 2.6313
2.6494 2.6595 2.8463 2.8547 2.8590 2.8671 3.0193 3.0208
3.4527 3.4581 3.6032 3.6036 3.9753 3.9894 4.0165 4.0262
4.0542 4.0664 4.1937 4.2053 4.8034 4.8220 4.9114 4.9382
4.9507 4.9606 5.2128 5.2135 5.6786 5.6790 5.7646 5.7648
6.7267 6.7352 6.7924 6.8012 6.8476 6.8486 6.8858 6.8881
7.3130 7.3188 7.3667 7.3753 7.4186 7.4227 7.5913 7.5934
10.0173 10.0183
k = 0.3966 0.4995 0.4995 ( 5972 PWs) bands (ev):
-6.9208 -6.9205 -6.8576 -6.8575 -6.8293 -6.8290 -6.8204 -6.8202
0.7878 0.7879 0.9080 0.9083 1.1042 1.1104 1.1165 1.1230
2.4415 2.4501 2.5392 2.5521 2.5793 2.5953 2.6243 2.6261
2.6418 2.6533 2.8479 2.8564 2.8634 2.8712 3.0305 3.0323
3.4427 3.4488 3.6110 3.6119 3.9666 3.9821 4.0120 4.0244
4.0505 4.0656 4.1969 4.2096 4.7968 4.8189 4.9039 4.9356
4.9440 4.9557 5.2062 5.2070 5.6788 5.6794 5.7642 5.7644
6.7208 6.7319 6.7744 6.7840 6.8380 6.8434 6.8628 6.8679
7.2902 7.2959 7.3450 7.3526 7.4105 7.4137 7.5917 7.5938
10.0533 10.0543
k = 0.3793 0.4995 0.4995 ( 5980 PWs) bands (ev):
-6.9277 -6.9274 -6.8603 -6.8602 -6.8238 -6.8234 -6.8191 -6.8189
0.7954 0.7954 0.9297 0.9301 1.1169 1.1235 1.1310 1.1379
2.4337 2.4433 2.5327 2.5472 2.5700 2.5856 2.6163 2.6211
2.6336 2.6463 2.8495 2.8576 2.8684 2.8752 3.0432 3.0451
3.4322 3.4388 3.6187 3.6202 3.9568 3.9733 4.0073 4.0226
4.0463 4.0646 4.2007 4.2142 4.7894 4.8149 4.8954 4.9303
4.9385 4.9501 5.1985 5.1994 5.6791 5.6798 5.7638 5.7638
6.7129 6.7271 6.7541 6.7648 6.8235 6.8347 6.8399 6.8491
7.2649 7.2704 7.3204 7.3269 7.4018 7.4042 7.5920 7.5941
10.0965 10.0974
k = 0.3621 0.4995 0.4995 ( 5988 PWs) bands (ev):
-6.9347 -6.9344 -6.8631 -6.8629 -6.8185 -6.8183 -6.8176 -6.8176
0.8043 0.8043 0.9540 0.9545 1.1317 1.1387 1.1472 1.1546
2.4251 2.4356 2.5254 2.5410 2.5603 2.5749 2.6075 2.6156
2.6248 2.6386 2.8511 2.8580 2.8737 2.8787 3.0572 3.0594
3.4214 3.4284 3.6260 3.6281 3.9461 3.9633 4.0023 4.0207
4.0418 4.0634 4.2049 4.2188 4.7814 4.8100 4.8862 4.9219
4.9344 4.9440 5.1896 5.1907 5.6794 5.6803 5.7632 5.7632
6.7020 6.7186 6.7340 6.7449 6.8017 6.8083 6.8315 6.8344
7.2378 7.2431 7.2935 7.2991 7.3925 7.3943 7.5924 7.5944
10.1464 10.1471
k = 0.3448 0.4995 0.4995 ( 5996 PWs) bands (ev):
-6.9417 -6.9414 -6.8659 -6.8658 -6.8168 -6.8167 -6.8130 -6.8127
0.8146 0.8147 0.9809 0.9814 1.1482 1.1557 1.1651 1.1730
2.4160 2.4271 2.5172 2.5330 2.5508 2.5633 2.5980 2.6094
2.6157 2.6306 2.8524 2.8576 2.8790 2.8819 3.0724 3.0748
3.4102 3.4175 3.6328 3.6355 3.9344 3.9521 3.9973 4.0186
4.0371 4.0620 4.2093 4.2235 4.7726 4.8044 4.8763 4.9122
4.9306 4.9377 5.1798 5.1810 5.6799 5.6808 5.7625 5.7626
6.6869 6.6998 6.7212 6.7261 6.7751 6.7790 6.8218 6.8236
7.2097 7.2148 7.2652 7.2701 7.3828 7.3841 7.5926 7.5944
10.2022 10.2029
k = 0.3276 0.4995 0.4995 ( 5988 PWs) bands (ev):
-6.9486 -6.9483 -6.8688 -6.8687 -6.8157 -6.8156 -6.8080 -6.8077
0.8262 0.8262 1.0103 1.0109 1.1665 1.1745 1.1846 1.1931
2.4064 2.4181 2.5080 2.5228 2.5419 2.5511 2.5880 2.6029
2.6064 2.6223 2.8530 2.8562 2.8842 2.8846 3.0886 3.0912
3.3988 3.4064 3.6388 3.6423 3.9220 3.9399 3.9923 4.0164
4.0326 4.0605 4.2141 4.2281 4.7634 4.7979 4.8660 4.9018
4.9266 4.9311 5.1689 5.1703 5.6804 5.6815 5.7617 5.7620
6.6670 6.6746 6.7090 6.7118 6.7467 6.7486 6.8088 6.8145
7.1812 7.1863 7.2362 7.2406 7.3727 7.3736 7.5927 7.5944
10.2635 10.2640
k = 0.3103 0.4995 0.4995 ( 5996 PWs) bands (ev):
-6.9554 -6.9551 -6.8717 -6.8716 -6.8148 -6.8146 -6.8031 -6.8028
0.8390 0.8390 1.0420 1.0427 1.1864 1.1951 1.2054 1.2146
2.3963 2.4085 2.4976 2.5104 2.5336 2.5384 2.5777 2.5960
2.5969 2.6139 2.8528 2.8537 2.8867 2.8890 3.1056 3.1084
3.3871 3.3950 3.6440 3.6481 3.9089 3.9269 3.9872 4.0138
4.0282 4.0589 4.2190 4.2327 4.7536 4.7906 4.8553 4.8909
4.9222 4.9244 5.1572 5.1586 5.6810 5.6823 5.7608 5.7614
6.6434 6.6475 6.6929 6.7007 6.7178 6.7183 6.7945 6.8039
7.1531 7.1583 7.2073 7.2116 7.3623 7.3630 7.5926 7.5941
10.3294 10.3299
k = 0.2931 0.4995 0.4995 ( 5988 PWs) bands (ev):
-6.9620 -6.9617 -6.8746 -6.8745 -6.8139 -6.8137 -6.7985 -6.7982
0.8527 0.8528 1.0760 1.0767 1.2077 1.2171 1.2276 1.2375
2.3858 2.3985 2.4859 2.4960 2.5255 2.5255 2.5672 2.5873
2.5890 2.6055 2.8500 2.8516 2.8884 2.8934 3.1234 3.1263
3.3754 3.3834 3.6482 3.6530 3.8951 3.9130 3.9823 4.0106
4.0246 4.0573 4.2239 4.2372 4.7434 4.7825 4.8445 4.8801
4.9175 4.9178 5.1446 5.1461 5.6818 5.6834 5.7599 5.7608
6.6178 6.6197 6.6763 6.6821 6.6871 6.6958 6.7786 6.7916
7.1258 7.1314 7.1794 7.1838 7.3518 7.3523 7.5924 7.5937
10.3992 10.3996
k = 0.2759 0.4995 0.4995 ( 5980 PWs) bands (ev):
-6.9685 -6.9682 -6.8775 -6.8774 -6.8131 -6.8130 -6.7942 -6.7939
0.8674 0.8674 1.1121 1.1129 1.2302 1.2405 1.2509 1.2617
2.3749 2.3880 2.4724 2.4800 2.5126 2.5173 2.5569 2.5778
2.5819 2.5972 2.8451 2.8490 2.8895 2.8971 3.1417 3.1449
3.3635 3.3717 3.6514 3.6568 3.8809 3.8985 3.9776 4.0068
4.0219 4.0558 4.2289 4.2416 4.7329 4.7737 4.8340 4.8693
4.9112 4.9126 5.1313 5.1329 5.6827 5.6845 5.7589 5.7602
6.5913 6.5918 6.6549 6.6561 6.6594 6.6804 6.7609 6.7774
7.1001 7.1062 7.1530 7.1578 7.3413 7.3416 7.5921 7.5932
10.4721 10.4724
k = 0.2586 0.4995 0.4995 ( 5988 PWs) bands (ev):
-6.9747 -6.9744 -6.8803 -6.8802 -6.8124 -6.8123 -6.7901 -6.7898
0.8827 0.8827 1.1503 1.1512 1.2538 1.2649 1.2752 1.2869
2.3633 2.3769 2.4571 2.4625 2.5001 2.5087 2.5469 2.5684
2.5749 2.5892 2.8391 2.8451 2.8903 2.9001 3.1604 3.1639
3.3515 3.3599 3.6534 3.6595 3.8660 3.8833 3.9730 4.0024
4.0201 4.0544 4.2337 4.2458 4.7222 4.7641 4.8239 4.8587
4.9046 4.9073 5.1174 5.1191 5.6837 5.6858 5.7578 5.7595
6.5642 6.5647 6.6267 6.6272 6.6396 6.6647 6.7414 6.7614
7.0762 7.0831 7.1287 7.1341 7.3308 7.3310 7.5915 7.5924
10.5472 10.5474
k = 0.2414 0.4995 0.4995 ( 5992 PWs) bands (ev):
-6.9807 -6.9804 -6.8831 -6.8829 -6.8118 -6.8117 -6.7863 -6.7860
0.8984 0.8985 1.1903 1.1913 1.2783 1.2900 1.3005 1.3129
2.3510 2.3650 2.4400 2.4439 2.4882 2.4996 2.5376 2.5593
2.5682 2.5815 2.8318 2.8398 2.8905 2.9024 3.1794 3.1833
3.3395 3.3480 3.6543 3.6610 3.8508 3.8677 3.9689 3.9978
4.0190 4.0531 4.2385 4.2498 4.7115 4.7539 4.8145 4.8486
4.8983 4.9020 5.1030 5.1048 5.6848 5.6872 5.7567 5.7588
6.5374 6.5386 6.5990 6.5993 6.6189 6.6474 6.7203 6.7434
7.0545 7.0623 7.1069 7.1131 7.3205 7.3206 7.5908 7.5916
10.6236 10.6238
k = 0.2241 0.4995 0.4995 ( 6000 PWs) bands (ev):
-6.9864 -6.9861 -6.8857 -6.8856 -6.8113 -6.8112 -6.7827 -6.7824
0.9145 0.9145 1.2319 1.2331 1.3033 1.3155 1.3267 1.3398
2.3374 2.3517 2.4217 2.4247 2.4767 2.4898 2.5291 2.5504
2.5618 2.5741 2.8234 2.8331 2.8904 2.9038 3.1985 3.2030
3.3275 3.3362 3.6542 3.6615 3.8351 3.8516 3.9650 3.9931
4.0185 4.0520 4.2431 4.2536 4.7009 4.7432 4.8059 4.8391
4.8923 4.8966 5.0884 5.0903 5.6861 5.6888 5.7554 5.7580
6.5116 6.5133 6.5721 6.5731 6.5972 6.6286 6.6978 6.7238
7.0353 7.0440 7.0877 7.0948 7.3104 7.3105 7.5900 7.5906
10.7004 10.7005
k = 0.2069 0.4995 0.4995 ( 6000 PWs) bands (ev):
-6.9918 -6.9915 -6.8882 -6.8881 -6.8108 -6.8107 -6.7794 -6.7792
0.9307 0.9307 1.2750 1.2763 1.3286 1.3410 1.3540 1.3671
2.3219 2.3361 2.4033 2.4056 2.4656 2.4794 2.5215 2.5419
2.5557 2.5672 2.8141 2.8251 2.8898 2.9045 3.2175 3.2227
3.3156 3.3248 3.6531 3.6610 3.8192 3.8352 3.9616 3.9885
4.0186 4.0512 4.2475 4.2572 4.6904 4.7320 4.7983 4.8303
4.8867 4.8913 5.0737 5.0756 5.6875 5.6906 5.7542 5.7573
6.4871 6.4892 6.5466 6.5482 6.5748 6.6087 6.6743 6.7027
7.0187 7.0281 7.0713 7.0790 7.3008 7.3008 7.5891 7.5896
10.7763 10.7765
k = 0.1897 0.4995 0.4995 ( 6016 PWs) bands (ev):
-6.9968 -6.9966 -6.8906 -6.8905 -6.8104 -6.8104 -6.7764 -6.7761
0.9467 0.9467 1.3190 1.3205 1.3540 1.3660 1.3822 1.3950
2.3034 2.3170 2.3862 2.3876 2.4547 2.4684 2.5149 2.5337
2.5501 2.5608 2.8039 2.8160 2.8888 2.9043 3.2358 3.2424
3.3041 3.3142 3.6511 3.6595 3.8029 3.8185 3.9586 3.9841
4.0192 4.0504 4.2517 4.2605 4.6804 4.7206 4.7916 4.8221
4.8813 4.8860 5.0590 5.0610 5.6891 5.6925 5.7528 5.7565
6.4641 6.4665 6.5227 6.5249 6.5524 6.5879 6.6503 6.6806
7.0046 7.0145 7.0573 7.0655 7.2915 7.2915 7.5881 7.5885
10.8503 10.8505
k = 0.1724 0.4995 0.4995 ( 6016 PWs) bands (ev):
-7.0015 -7.0013 -6.8929 -6.8928 -6.8101 -6.8100 -6.7736 -6.7734
0.9623 0.9624 1.3631 1.3643 1.3799 1.3904 1.4119 1.4237
2.2810 2.2935 2.3714 2.3717 2.4440 2.4570 2.5091 2.5261
2.5451 2.5549 2.7932 2.8059 2.8875 2.9034 3.2523 3.2616
3.2934 3.3056 3.6484 3.6574 3.7865 3.8017 3.9561 3.9800
4.0203 4.0499 4.2556 4.2636 4.6708 4.7093 4.7859 4.8148
4.8765 4.8810 5.0447 5.0466 5.6909 5.6946 5.7514 5.7556
6.4429 6.4454 6.5006 6.5032 6.5304 6.5669 6.6264 6.6579
6.9930 7.0031 7.0455 7.0540 7.2828 7.2828 7.5871 7.5874
10.9211 10.9214
k = 0.1552 0.4995 0.4995 ( 6016 PWs) bands (ev):
-7.0058 -7.0057 -6.8950 -6.8949 -6.8099 -6.8098 -6.7711 -6.7709
0.9774 0.9774 1.3996 1.4050 1.4125 1.4140 1.4446 1.4541
2.2543 2.2655 2.3583 2.3592 2.4335 2.4454 2.5041 2.5190
2.5407 2.5496 2.7821 2.7952 2.8860 2.9019 3.2635 3.2755
3.2882 3.3026 3.6453 3.6549 3.7700 3.7847 3.9542 3.9762
4.0218 4.0496 4.2594 4.2665 4.6619 4.6981 4.7813 4.8083
4.8722 4.8764 5.0308 5.0327 5.6928 5.6968 5.7500 5.7546
6.4235 6.4262 6.4801 6.4833 6.5095 6.5460 6.6032 6.6353
6.9835 6.9936 7.0358 7.0443 7.2746 7.2747 7.5861 7.5863
10.9874 10.9878
k = 0.1379 0.4995 0.4995 ( 6016 PWs) bands (ev):
-7.0097 -7.0096 -6.8969 -6.8968 -6.8096 -6.8096 -6.7689 -6.7687
0.9916 0.9916 1.4240 1.4349 1.4427 1.4503 1.4830 1.4893
2.2237 2.2335 2.3473 2.3493 2.4232 2.4339 2.4998 2.5125
2.5368 2.5449 2.7710 2.7841 2.8844 2.8998 3.2644 3.2695
3.3028 3.3099 3.6419 3.6521 3.7534 3.7679 3.9526 3.9727
4.0236 4.0492 4.2627 4.2690 4.6538 4.6872 4.7776 4.8025
4.8684 4.8722 5.0175 5.0193 5.6949 5.6992 5.7485 5.7536
6.4061 6.4088 6.4616 6.4653 6.4901 6.5257 6.5814 6.6132
6.9759 6.9857 7.0278 7.0361 7.2672 7.2672 7.5851 7.5853
11.0480 11.0484
k = 0.1207 0.4995 0.4995 ( 6012 PWs) bands (ev):
-7.0132 -7.0131 -6.8986 -6.8985 -6.8095 -6.8094 -6.7669 -6.7668
1.0048 1.0048 1.4459 1.4556 1.4727 1.4815 1.5276 1.5317
2.1894 2.1981 2.3383 2.3410 2.4133 2.4227 2.4961 2.5067
2.5336 2.5408 2.7601 2.7728 2.8827 2.8973 3.2587 3.2604
3.3206 3.3237 3.6385 3.6495 3.7370 3.7513 3.9516 3.9695
4.0257 4.0489 4.2658 4.2712 4.6466 4.6769 4.7748 4.7974
4.8653 4.8685 5.0051 5.0069 5.6970 5.7015 5.7470 5.7524
6.3907 6.3933 6.4449 6.4491 6.4727 6.5064 6.5615 6.5922
6.9700 6.9792 7.0213 7.0292 7.2605 7.2605 7.5841 7.5843
11.1016 11.1022
k = 0.1034 0.4995 0.4995 ( 5996 PWs) bands (ev):
-7.0163 -7.0162 -6.9001 -6.9000 -6.8093 -6.8093 -6.7652 -6.7651
1.0167 1.0167 1.4656 1.4741 1.4983 1.5068 1.5756 1.5790
2.1522 2.1599 2.3310 2.3341 2.4039 2.4120 2.4930 2.5016
2.5310 2.5373 2.7499 2.7618 2.8811 2.8945 3.2514 3.2519
3.3378 3.3392 3.6356 3.6472 3.7208 3.7350 3.9510 3.9667
4.0282 4.0487 4.2685 4.2732 4.6404 4.6672 4.7730 4.7930
4.8628 4.8654 4.9938 4.9954 5.6993 5.7039 5.7455 5.7511
6.3775 6.3800 6.4303 6.4349 6.4576 6.4883 6.5440 6.5726
6.9654 6.9739 7.0161 7.0234 7.2545 7.2546 7.5833 7.5834
11.1475 11.1481
k = 0.0862 0.4995 0.4995 ( 6020 PWs) bands (ev):
-7.0189 -7.0188 -6.9014 -6.9013 -6.8092 -6.8092 -6.7638 -6.7637
1.0271 1.0272 1.4831 1.4903 1.5206 1.5282 1.6253 1.6284
2.1123 2.1192 2.3251 2.3283 2.3953 2.4021 2.4904 2.4971
2.5289 2.5343 2.7407 2.7514 2.8797 2.8916 3.2442 3.2442
3.3536 3.3541 3.6332 3.6455 3.7051 3.7193 3.9508 3.9640
4.0306 4.0482 4.2708 4.2747 4.6354 4.6582 4.7718 4.7890
4.8607 4.8628 4.9837 4.9852 5.7015 5.7061 5.7442 5.7497
6.3662 6.3685 6.4178 6.4225 6.4449 6.4718 6.5293 6.5549
6.9620 6.9694 7.0121 7.0185 7.2494 7.2494 7.5824 7.5825
11.1853 11.1859
k = 0.0690 0.4995 0.4995 ( 6020 PWs) bands (ev):
-7.0211 -7.0210 -6.9025 -6.9024 -6.8091 -6.8091 -6.7626 -6.7625
1.0360 1.0360 1.4981 1.5039 1.5397 1.5459 1.6755 1.6787
2.0703 2.0765 2.3205 2.3236 2.3878 2.3933 2.4884 2.4935
2.5275 2.5319 2.7328 2.7420 2.8787 2.8886 3.2377 3.2379
3.3677 3.3677 3.6319 3.6449 3.6903 3.7045 3.9509 3.9617
4.0332 4.0476 4.2729 4.2759 4.6316 4.6503 4.7714 4.7855
4.8593 4.8609 4.9751 4.9763 5.7038 5.7081 5.7430 5.7481
6.3571 6.3591 6.4076 6.4121 6.4350 6.4572 6.5177 6.5394
6.9597 6.9659 7.0091 7.0145 7.2451 7.2451 7.5817 7.5818
11.2149 11.2155
k = 0.0517 0.4995 0.4995 ( 6032 PWs) bands (ev):
-7.0228 -7.0227 -6.9033 -6.9033 -6.8091 -6.8091 -6.7617 -6.7616
1.0430 1.0430 1.5103 1.5146 1.5552 1.5600 1.7258 1.7292
2.0265 2.0321 2.3172 2.3197 2.3817 2.3859 2.4869 2.4905
2.5266 2.5300 2.7266 2.7338 2.8782 2.8859 3.2325 3.2327
3.3792 3.3795 3.6320 3.6455 3.6766 3.6908 3.9514 3.9595
4.0357 4.0467 4.2745 4.2768 4.6291 4.6434 4.7715 4.7823
4.8583 4.8594 4.9682 4.9692 5.7059 5.7096 5.7421 5.7465
6.3501 6.3516 6.3998 6.4038 6.4278 6.4447 6.5093 6.5263
6.9582 6.9630 7.0071 7.0112 7.2418 7.2418 7.5812 7.5812
11.2369 11.2374
k = 0.0345 0.4995 0.4995 ( 6048 PWs) bands (ev):
-7.0240 -7.0240 -6.9039 -6.9039 -6.8090 -6.8090 -6.7610 -6.7610
1.0481 1.0481 1.5193 1.5223 1.5669 1.5701 1.7753 1.7788
1.9817 1.9867 2.3149 2.3168 2.3773 2.3801 2.4860 2.4883
2.5261 2.5284 2.7223 2.7274 2.8781 2.8834 3.2287 3.2288
3.3881 3.3884 3.6338 3.6474 3.6647 3.6787 3.9520 3.9575
4.0380 4.0454 4.2758 4.2773 4.6280 4.6376 4.7722 4.7795
4.8578 4.8585 4.9631 4.9638 5.7078 5.7105 5.7417 5.7450
6.3451 6.3462 6.3944 6.3974 6.4234 6.4348 6.5042 6.5158
6.9575 6.9607 7.0059 7.0087 7.2393 7.2394 7.5808 7.5808
11.2520 11.2523
k = 0.0172 0.4995 0.4995 ( 6024 PWs) bands (ev):
-7.0247 -7.0247 -6.9043 -6.9043 -6.8090 -6.8090 -6.7606 -6.7606
1.0512 1.0512 1.5252 1.5267 1.5744 1.5761 1.8221 1.8254
1.9383 1.9423 2.3139 2.3149 2.3749 2.3763 2.4856 2.4868
2.5262 2.5273 2.7203 2.7229 2.8787 2.8814 3.2263 3.2264
3.3938 3.3940 3.6377 3.6488 3.6572 3.6684 3.9531 3.9558
4.0402 4.0439 4.2767 4.2775 4.6284 4.6332 4.7735 4.7772
4.8576 4.8580 4.9601 4.9605 5.7094 5.7109 5.7419 5.7437
6.3424 6.3429 6.3917 6.3933 6.4219 6.4276 6.5024 6.5083
6.9574 6.9591 7.0056 7.0070 7.2379 7.2379 7.5805 7.5806
11.2607 11.2609
k = 0.0000 0.4995 0.4995 ( 6024 PWs) bands (ev):
-7.0249 -7.0249 -6.9044 -6.9044 -6.8090 -6.8090 -6.7605 -6.7605
1.0523 1.0523 1.5277 1.5277 1.5775 1.5775 1.8519 1.8519
1.9131 1.9131 2.3139 2.3139 2.3745 2.3745 2.4859 2.4859
2.5266 2.5266 2.7205 2.7205 2.8798 2.8798 3.2256 3.2256
3.3958 3.3958 3.6434 3.6434 3.6604 3.6604 3.9543 3.9543
4.0422 4.0422 4.2773 4.2773 4.6301 4.6301 4.7752 4.7752
4.8577 4.8577 4.9592 4.9592 5.7105 5.7105 5.7426 5.7426
6.3416 6.3416 6.3913 6.3913 6.4233 6.4233 6.5038 6.5038
6.9580 6.9580 7.0059 7.0059 7.2375 7.2375 7.5805 7.5805
11.2636 11.2636
k = 0.0000 0.4995 0.4995 ( 6024 PWs) bands (ev):
-7.0249 -7.0249 -6.9044 -6.9044 -6.8090 -6.8090 -6.7605 -6.7605
1.0523 1.0523 1.5277 1.5277 1.5775 1.5775 1.8519 1.8519
1.9131 1.9131 2.3139 2.3139 2.3745 2.3745 2.4859 2.4859
2.5266 2.5266 2.7205 2.7205 2.8798 2.8798 3.2256 3.2256
3.3958 3.3958 3.6434 3.6434 3.6604 3.6604 3.9543 3.9543
4.0422 4.0422 4.2773 4.2773 4.6301 4.6301 4.7752 4.7752
4.8577 4.8577 4.9592 4.9592 5.7105 5.7105 5.7426 5.7426
6.3416 6.3416 6.3913 6.3913 6.4233 6.4233 6.5038 6.5038
6.9580 6.9580 7.0059 7.0059 7.2375 7.2375 7.5805 7.5805
11.2636 11.2636
k = 0.0000 0.4823 0.4995 ( 6028 PWs) bands (ev):
-7.0286 -7.0282 -6.9010 -6.9007 -6.8122 -6.8114 -6.7581 -6.7573
1.0522 1.0527 1.5280 1.5282 1.5762 1.5789 1.8501 1.8533
1.9067 1.9136 2.3138 2.3140 2.3754 2.3820 2.4850 2.4856
2.5234 2.5288 2.7207 2.7221 2.8790 2.8824 3.2244 3.2270
3.3955 3.3957 3.6428 3.6434 3.6577 3.6634 3.9547 3.9547
4.0415 4.0433 4.2758 4.2777 4.6287 4.6310 4.7736 4.7757
4.8558 4.8578 4.9590 4.9600 5.7103 5.7110 5.7410 5.7458
6.3389 6.3447 6.3888 6.3948 6.4221 6.4225 6.5033 6.5061
6.9561 6.9563 6.9972 7.0039 7.2372 7.2421 7.5789 7.5818
11.2660 11.2666
k = 0.0000 0.4651 0.4995 ( 6036 PWs) bands (ev):
-7.0380 -7.0374 -6.8917 -6.8910 -6.8194 -6.8182 -6.7514 -6.7502
1.0526 1.0536 1.5291 1.5297 1.5749 1.5805 1.8470 1.8542
1.8963 1.9089 2.3137 2.3142 2.3845 2.3971 2.4830 2.4841
2.5196 2.5300 2.7227 2.7255 2.8800 2.8867 3.2235 3.2287
3.3947 3.3950 3.6418 3.6427 3.6554 3.6665 3.9557 3.9560
4.0413 4.0448 4.2733 4.2772 4.6268 4.6314 4.7710 4.7752
4.8522 4.8561 4.9590 4.9611 5.7107 5.7118 5.7412 5.7506
6.3365 6.3482 6.3873 6.3990 6.4193 6.4194 6.5044 6.5103
6.9505 6.9510 6.9796 6.9913 7.2412 7.2498 7.5770 7.5828
11.2737 11.2748
k = 0.0000 0.4478 0.4995 ( 6020 PWs) bands (ev):
-7.0513 -7.0506 -6.8783 -6.8775 -6.8286 -6.8272 -6.7425 -6.7410
1.0535 1.0549 1.5310 1.5319 1.5738 1.5824 1.8393 1.8525
1.8866 1.9020 2.3136 2.3142 2.4005 2.4186 2.4802 2.4816
2.5153 2.5303 2.7265 2.7307 2.8829 2.8927 3.2229 3.2308
3.3934 3.3940 3.6402 3.6409 3.6539 3.6698 3.9576 3.9580
4.0416 4.0467 4.2699 4.2757 4.6244 4.6315 4.7673 4.7737
4.8471 4.8530 4.9593 4.9625 5.7118 5.7130 5.7431 5.7567
6.3339 6.3517 6.3873 6.4037 6.4140 6.4155 6.5074 6.5166
6.9371 6.9423 6.9592 6.9704 7.2479 7.2589 7.5748 7.5833
11.2867 11.2882
k = 0.0000 0.4306 0.4995 ( 6016 PWs) bands (ev):
-7.0668 -7.0660 -6.8625 -6.8616 -6.8388 -6.8373 -6.7325 -6.7309
1.0548 1.0567 1.5334 1.5347 1.5727 1.5846 1.8233 1.8445
1.8827 1.8983 2.3134 2.3140 2.4213 2.4444 2.4770 2.4784
2.5109 2.5297 2.7317 2.7376 2.8875 2.9002 3.2226 3.2331
3.3916 3.3924 3.6380 3.6381 3.6534 3.6734 3.9599 3.9608
4.0422 4.0488 4.2655 4.2731 4.6214 4.6310 4.7627 4.7711
4.8410 4.8488 4.9595 4.9639 5.7136 5.7146 5.7464 5.7637
6.3303 6.3544 6.3889 6.4069 6.4069 6.4132 6.5123 6.5249
6.9101 6.9272 6.9440 6.9467 7.2555 7.2677 7.5720 7.5829
11.3047 11.3066
k = 0.0000 0.4134 0.4995 ( 6028 PWs) bands (ev):
-7.0835 -7.0826 -6.8494 -6.8481 -6.8453 -6.8442 -6.7221 -6.7205
1.0565 1.0589 1.5360 1.5378 1.5717 1.5871 1.8003 1.8293
1.8846 1.9005 2.3132 2.3136 2.4419 2.4666 2.4761 2.4808
2.5075 2.5288 2.7384 2.7461 2.8939 2.9090 3.2225 3.2356
3.3893 3.3903 3.6341 3.6355 3.6537 3.6773 3.9627 3.9642
4.0433 4.0510 4.2601 4.2697 4.6178 4.6300 4.7571 4.7675
4.8340 4.8438 4.9593 4.9650 5.7160 5.7165 5.7507 5.7714
6.3248 6.3545 6.3926 6.3989 6.4047 6.4170 6.5194 6.5354
6.8744 6.8986 6.9299 6.9315 7.2627 7.2752 7.5684 7.5816
11.3275 11.3296
k = 0.0000 0.3962 0.4995 ( 6032 PWs) bands (ev):
-7.1007 -7.0999 -6.8601 -6.8586 -6.8276 -6.8266 -6.7115 -6.7099
1.0588 1.0615 1.5382 1.5408 1.5707 1.5900 1.7739 1.8098
1.8904 1.9072 2.3129 2.3130 2.4510 2.4654 2.4828 2.5046
2.5103 2.5308 2.7464 2.7560 2.9018 2.9190 3.2227 3.2385
3.3864 3.3877 3.6292 3.6323 3.6549 3.6815 3.9659 3.9682
4.0450 4.0536 4.2539 4.2653 4.6134 4.6285 4.7505 4.7628
4.8265 4.8384 4.9585 4.9656 5.7187 5.7190 5.7557 5.7793
6.3164 6.3499 6.3922 6.3988 6.4021 6.4229 6.5290 6.5481
6.8345 6.8618 6.9168 6.9191 7.2685 7.2808 7.5637 7.5789
11.3548 11.3570
k = 0.0000 0.3789 0.4995 ( 6024 PWs) bands (ev):
-7.1181 -7.1173 -6.8708 -6.8693 -6.8095 -6.8085 -6.7009 -6.6993
1.0616 1.0646 1.5392 1.5433 1.5700 1.5933 1.7466 1.7891
1.8987 1.9170 2.3123 2.3126 2.4484 2.4598 2.4851 2.5147
2.5304 2.5509 2.7555 2.7672 2.9111 2.9300 3.2232 3.2417
3.3830 3.3845 3.6236 3.6285 3.6570 3.6862 3.9694 3.9729
4.0473 4.0564 4.2469 4.2603 4.6083 4.6265 4.7432 4.7571
4.8187 4.8328 4.9571 4.9656 5.7213 5.7227 5.7610 5.7870
6.3044 6.3390 6.3886 6.4011 6.4073 6.4294 6.5413 6.5631
6.7923 6.8216 6.9046 6.9067 7.2724 7.2842 7.5578 7.5747
11.3863 11.3883
k = 0.0000 0.3617 0.4995 ( 6020 PWs) bands (ev):
-7.1355 -7.1346 -6.8814 -6.8800 -6.7914 -6.7904 -6.6905 -6.6889
1.0649 1.0682 1.5380 1.5446 1.5699 1.5967 1.7200 1.7693
1.9090 1.9289 2.3113 2.3123 2.4424 2.4534 2.4815 2.5130
2.5605 2.5831 2.7657 2.7797 2.9216 2.9420 3.2240 3.2452
3.3790 3.3808 3.6173 3.6243 3.6598 3.6913 3.9730 3.9779
4.0502 4.0593 4.2392 4.2544 4.6024 4.6238 4.7350 4.7506
4.8108 4.8271 4.9549 4.9648 5.7239 5.7267 5.7663 5.7941
6.2889 6.3227 6.3877 6.4018 6.4178 6.4364 6.5563 6.5803
6.7489 6.7799 6.8930 6.8946 7.2742 7.2852 7.5503 7.5687
11.4212 11.4227
k = 0.0000 0.3445 0.4995 ( 6024 PWs) bands (ev):
-7.1526 -7.1518 -6.8919 -6.8905 -6.7734 -6.7724 -6.6803 -6.6787
1.0688 1.0723 1.5334 1.5440 1.5706 1.5994 1.6964 1.7520
1.9211 1.9426 2.3102 2.3120 2.4354 2.4466 2.4763 2.5090
2.5931 2.6170 2.7769 2.7935 2.9333 2.9546 3.2251 3.2489
3.3745 3.3764 3.6106 3.6196 3.6633 3.6968 3.9764 3.9833
4.0537 4.0623 4.2307 4.2479 4.5958 4.6204 4.7261 4.7432
4.8027 4.8214 4.9521 4.9633 5.7262 5.7309 5.7711 5.8001
6.2707 6.3029 6.3880 6.4035 6.4299 6.4442 6.5739 6.5997
6.7055 6.7379 6.8822 6.8831 7.2739 7.2839 7.5411 7.5607
11.4588 11.4594
k = 0.0000 0.3273 0.4995 ( 6026 PWs) bands (ev):
-7.1694 -7.1686 -6.9021 -6.9007 -6.7557 -6.7548 -6.6703 -6.6687
1.0731 1.0769 1.5250 1.5404 1.5719 1.6001 1.6785 1.7385
1.9348 1.9578 2.3091 2.3118 2.4282 2.4397 2.4708 2.5042
2.6263 2.6504 2.7889 2.8086 2.9458 2.9679 3.2264 3.2529
3.3693 3.3715 3.6033 3.6144 3.6676 3.7028 3.9797 3.9888
4.0580 4.0653 4.2217 4.2409 4.5884 4.6164 4.7166 4.7349
4.7947 4.8157 4.9487 4.9613 5.7280 5.7349 5.7751 5.8045
6.2507 6.2810 6.3888 6.4055 6.4434 6.4529 6.5939 6.6208
6.6637 6.6970 6.8725 6.8725 7.2714 7.2803 7.5300 7.5508
11.4782 11.4923
k = 0.0000 0.3100 0.4995 ( 6022 PWs) bands (ev):
-7.1857 -7.1849 -6.9120 -6.9107 -6.7385 -6.7375 -6.6606 -6.6591
1.0780 1.0819 1.5129 1.5324 1.5733 1.5977 1.6689 1.7292
1.9499 1.9744 2.3078 2.3117 2.4211 2.4327 2.4651 2.4988
2.6590 2.6826 2.8018 2.8251 2.9591 2.9818 3.2281 3.2571
3.3635 3.3660 3.5955 3.6089 3.6728 3.7092 3.9826 3.9943
4.0630 4.0684 4.2122 4.2336 4.5803 4.6118 4.7064 4.7260
4.7865 4.8099 4.9450 4.9587 5.7287 5.7384 5.7778 5.8068
6.2301 6.2583 6.3893 6.4066 6.4582 6.4630 6.6153 6.6204
6.6480 6.6592 6.8631 6.8641 7.2670 7.2747 7.5171 7.5387
11.4684 11.4911
k = 0.0000 0.2928 0.4995 ( 6034 PWs) bands (ev):
-7.2015 -7.2008 -6.9216 -6.9203 -6.7217 -6.7207 -6.6512 -6.6498
1.0834 1.0874 1.4976 1.5190 1.5745 1.5933 1.6676 1.7242
1.9662 1.9921 2.3063 2.3117 2.4142 2.4258 2.4594 2.4932
2.6907 2.7129 2.8155 2.8431 2.9730 2.9960 3.2301 3.2615
3.3573 3.3599 3.5873 3.6028 3.6787 3.7161 3.9850 3.9997
4.0686 4.0714 4.2023 4.2259 4.5716 4.6066 4.6955 4.7162
4.7784 4.8040 4.9409 4.9559 5.7279 5.7408 5.7788 5.8066
6.2098 6.2356 6.3888 6.4060 6.4741 6.4744 6.5850 6.6175
6.6462 6.6727 6.8550 6.8569 7.2608 7.2672 7.5022 7.5246
11.4524 11.4784
k = 0.0000 0.2756 0.4995 ( 6028 PWs) bands (ev):
-7.2167 -7.2160 -6.9308 -6.9296 -6.7055 -6.7046 -6.6422 -6.6408
1.0892 1.0932 1.4798 1.5008 1.5756 1.5893 1.6718 1.7229
1.9835 2.0108 2.3048 2.3119 2.4077 2.4192 2.4538 2.4873
2.7210 2.7408 2.8300 2.8625 2.9874 3.0106 3.2324 3.2660
3.3505 3.3534 3.5788 3.5965 3.6855 3.7236 3.9869 4.0048
4.0743 4.0749 4.1920 4.2182 4.5625 4.6009 4.6840 4.7058
4.7701 4.7979 4.9370 4.9530 5.7253 5.7417 5.7777 5.8037
6.1912 6.2142 6.3866 6.4028 6.4872 6.4910 6.5537 6.5899
6.6701 6.7004 6.8482 6.8511 7.2531 7.2580 7.4853 7.5085
11.4302 11.4593
k = 0.0000 0.2584 0.4995 ( 6026 PWs) bands (ev):
-7.2312 -7.2305 -6.9396 -6.9385 -6.6899 -6.6890 -6.6336 -6.6323
1.0954 1.0994 1.4605 1.4798 1.5763 1.5864 1.6789 1.7244
2.0018 2.0303 2.3032 2.3122 2.4017 2.4128 2.4484 2.4812
2.7493 2.7660 2.8453 2.8832 3.0023 3.0254 3.2350 3.2705
3.3433 3.3463 3.5699 3.5898 3.6931 3.7315 3.9882 4.0095
4.0770 4.0817 4.1816 4.2105 4.5530 4.5950 4.6717 4.6946
4.7617 4.7914 4.9334 4.9502 5.7204 5.7404 5.7741 5.7978
6.1750 6.1950 6.3815 6.3961 6.5010 6.5084 6.5291 6.5669
6.6974 6.7297 6.8427 6.8467 7.2441 7.2475 7.4667 7.4903
11.4021 11.4343
k = 0.0000 0.2411 0.4995 ( 6026 PWs) bands (ev):
-7.2450 -7.2444 -6.9480 -6.9469 -6.6751 -6.6742 -6.6254 -6.6242
1.1019 1.1059 1.4403 1.4574 1.5768 1.5845 1.6875 1.7280
2.0207 2.0505 2.3015 2.3128 2.3963 2.4067 2.4431 2.4751
2.7753 2.7885 2.8613 2.9048 3.0175 3.0404 3.2380 3.2749
3.3358 3.3389 3.5608 3.5828 3.7015 3.7399 3.9889 4.0136
4.0792 4.0889 4.1710 4.2030 4.5435 4.5889 4.6585 4.6827
4.7532 4.7845 4.9304 4.9479 5.7131 5.7364 5.7678 5.7888
6.1622 6.1788 6.3731 6.3856 6.5100 6.5144 6.5287 6.5523
6.7257 6.7602 6.8385 6.8439 7.2341 7.2358 7.4463 7.4704
11.3688 11.4039
k = 0.0000 0.2239 0.4995 ( 6022 PWs) bands (ev):
-7.2581 -7.2575 -6.9559 -6.9549 -6.6610 -6.6602 -6.6177 -6.6165
1.1087 1.1126 1.4201 1.4350 1.5772 1.5831 1.6967 1.7329
2.0401 2.0710 2.2998 2.3136 2.3916 2.4010 2.4381 2.4690
2.7989 2.8085 2.8781 2.9265 3.0331 3.0555 3.2413 3.2791
3.3280 3.3311 3.5515 3.5755 3.7107 3.7488 3.9892 4.0170
4.0809 4.0962 4.1605 4.1960 4.5341 4.5830 4.6443 4.6700
4.7444 4.7771 4.9281 4.9460 5.7032 5.7293 5.7587 5.7770
6.1532 6.1663 6.3616 6.3721 6.5005 6.5232 6.5474 6.5499
6.7541 6.7916 6.8356 6.8429 7.2232 7.2234 7.4242 7.4487
11.3311 11.3686
k = 0.0000 0.2067 0.4995 ( 6020 PWs) bands (ev):
-7.2703 -7.2697 -6.9634 -6.9624 -6.6477 -6.6470 -6.6104 -6.6093
1.1157 1.1194 1.4002 1.4131 1.5774 1.5821 1.7061 1.7386
2.0596 2.0917 2.2981 2.3147 2.3877 2.3958 2.4334 2.4630
2.8200 2.8264 2.8954 2.9477 3.0489 3.0707 3.2448 3.2829
3.3203 3.3232 3.5421 3.5679 3.7205 3.7581 3.9889 4.0197
4.0819 4.1035 4.1501 4.1896 4.5251 4.5776 4.6293 4.6567
4.7355 4.7693 4.9267 4.9449 5.6910 5.7190 5.7470 5.7628
6.1481 6.1577 6.3485 6.3570 6.4965 6.5248 6.5611 6.5670
6.7811 6.8230 6.8344 6.8448 7.2100 7.2123 7.4008 7.4254
11.2901 11.3294
k = 0.0000 0.1895 0.4995 ( 6004 PWs) bands (ev):
-7.2817 -7.2811 -6.9703 -6.9694 -6.6353 -6.6347 -6.6036 -6.6027
1.1227 1.1262 1.3811 1.3922 1.5775 1.5814 1.7155 1.7446
2.0790 2.1123 2.2965 2.3160 2.3845 2.3911 2.4290 2.4571
2.8386 2.8424 2.9129 2.9678 3.0648 3.0857 3.2487 3.2858
3.3130 3.3152 3.5327 3.5601 3.7310 3.7678 3.9883 4.0217
4.0820 4.1106 4.1400 4.1840 4.5166 4.5728 4.6134 4.6429
4.7263 4.7609 4.9265 4.9445 5.6767 5.7056 5.7332 5.7469
6.1466 6.1531 6.3355 6.3421 6.4967 6.5255 6.5777 6.5868
6.8038 6.8337 6.8517 6.8551 7.1966 7.2012 7.3761 7.4008
11.2469 11.2842
k = 0.0000 0.1722 0.4995 ( 5998 PWs) bands (ev):
-7.2922 -7.2917 -6.9767 -6.9759 -6.6239 -6.6233 -6.5974 -6.5965
1.1297 1.1329 1.3630 1.3726 1.5775 1.5807 1.7245 1.7506
2.0981 2.1323 2.2950 2.3176 2.3820 2.3869 2.4250 2.4513
2.8550 2.8568 2.9302 2.9861 3.0808 3.1004 3.2527 3.2871
3.3068 3.3072 3.5235 3.5521 3.7420 3.7778 3.9873 4.0228
4.0813 4.1172 4.1303 4.1791 4.5088 4.5688 4.5968 4.6289
4.7169 4.7520 4.9272 4.9449 5.6608 5.6894 5.7179 5.7299
6.1483 6.1520 6.3236 6.3283 6.4997 6.5273 6.5957 6.6063
6.8189 6.8352 6.8668 6.8856 7.1831 7.1903 7.3504 7.3751
11.2022 11.2161
k = 0.0000 0.1550 0.4995 ( 6002 PWs) bands (ev):
-7.3017 -7.3013 -6.9826 -6.9819 -6.6134 -6.6129 -6.5917 -6.5909
1.1365 1.1395 1.3462 1.3545 1.5775 1.5802 1.7331 1.7563
2.1164 2.1515 2.2937 2.3195 2.3803 2.3833 2.4212 2.4456
2.8693 2.8697 2.9470 3.0024 3.0966 3.1147 3.2569 3.2855
3.2996 3.3032 3.5144 3.5439 3.7534 3.7879 3.9861 4.0231
4.0796 4.1205 4.1237 4.1749 4.5017 4.5656 4.5801 4.6151
4.7074 4.7426 4.9290 4.9461 5.6439 5.6711 5.7019 5.7126
6.1523 6.1538 6.3133 6.3161 6.5044 6.5304 6.6140 6.6252
6.8277 6.8384 6.8879 6.9148 7.1699 7.1801 7.3240 7.3484
11.1490 11.1558
k = 0.0000 0.1378 0.4995 ( 6000 PWs) bands (ev):
-7.3104 -7.3100 -6.9879 -6.9872 -6.6039 -6.6035 -6.5865 -6.5858
1.1431 1.1457 1.3308 1.3380 1.5775 1.5797 1.7411 1.7616
2.1338 2.1693 2.2929 2.3215 2.3794 2.3803 2.4177 2.4402
2.8813 2.8819 2.9629 3.0164 3.1119 3.1283 3.2612 3.2810
3.2925 3.3022 3.5058 3.5355 3.7650 3.7978 3.9849 4.0228
4.0774 4.1120 4.1287 4.1714 4.4954 4.5587 4.5681 4.6019
4.6978 4.7328 4.9316 4.9478 5.6265 5.6516 5.6860 5.6957
6.1577 6.1579 6.3048 6.3060 6.5102 6.5342 6.6320 6.6430
6.8348 6.8435 6.9104 6.9419 7.1575 7.1710 7.2974 7.3212
11.0870 11.1046
k = 0.0000 0.1206 0.4995 ( 6006 PWs) bands (ev):
-7.3181 -7.3177 -6.9926 -6.9920 -6.5955 -6.5951 -6.5819 -6.5813
1.1492 1.1515 1.3170 1.3231 1.5774 1.5792 1.7485 1.7663
2.1499 2.1853 2.2927 2.3235 2.3780 2.3791 2.4147 2.4349
2.8916 2.8928 2.9779 3.0279 3.1264 3.1409 3.2649 3.2755
3.2864 3.3022 3.4978 3.5272 3.7767 3.8076 3.9838 4.0216
4.0747 4.1039 4.1333 4.1682 4.4898 4.5431 4.5663 4.5901
4.6883 4.7226 4.9351 4.9500 5.6094 5.6319 5.6708 5.6796
6.1629 6.1644 6.2977 6.2978 6.5165 6.5383 6.6489 6.6591
6.8424 6.8508 6.9316 6.9661 7.1462 7.1632 7.2711 7.2939
11.0308 11.0505
k = 0.0000 0.1033 0.4995 ( 6006 PWs) bands (ev):
-7.3248 -7.3245 -6.9967 -6.9962 -6.5881 -6.5878 -6.5778 -6.5774
1.1549 1.1568 1.3049 1.3101 1.5773 1.5788 1.7551 1.7704
2.1646 2.1988 2.2936 2.3253 2.3766 2.3794 2.4119 2.4298
2.9006 2.9022 2.9918 3.0371 3.1398 3.1525 3.2674 3.2701
3.2823 3.3021 3.4907 3.5189 3.7882 3.8167 3.9832 4.0197
4.0720 4.0965 4.1371 4.1653 4.4845 4.5266 4.5671 4.5803
4.6791 4.7122 4.9390 4.9524 5.5933 5.6127 5.6568 5.6648
6.1689 6.1712 6.2913 6.2924 6.5231 6.5423 6.6642 6.6731
6.8515 6.8602 6.9502 6.9865 7.1363 7.1568 7.2458 7.2669
10.9812 10.9998
k = 0.0000 0.0861 0.4995 ( 6006 PWs) bands (ev):
-7.3305 -7.3302 -7.0002 -6.9997 -6.5819 -6.5817 -6.5743 -6.5740
1.1599 1.1615 1.2946 1.2989 1.5772 1.5784 1.7610 1.7737
2.1776 2.2094 2.2957 2.3267 2.3761 2.3803 2.4094 2.4250
2.9083 2.9100 3.0043 3.0440 3.1518 3.1625 3.2655 3.2671
3.2815 3.3015 3.4849 3.5108 3.7993 3.8248 3.9831 4.0171
4.0696 4.0898 4.1403 4.1626 4.4793 4.5111 4.5691 4.5732
4.6706 4.7017 4.9431 4.9548 5.5786 5.5949 5.6446 5.6515
6.1749 6.1776 6.2865 6.2882 6.5296 6.5461 6.6774 6.6847
6.8624 6.8715 6.9658 7.0025 7.1280 7.1517 7.2225 7.2410
10.9386 10.9551
k = 0.0000 0.0689 0.4995 ( 6004 PWs) bands (ev):
-7.3352 -7.3350 -7.0030 -7.0027 -6.5768 -6.5767 -6.5713 -6.5711
1.1643 1.1655 1.2862 1.2896 1.5772 1.5781 1.7661 1.7763
2.1890 2.2166 2.2991 2.3271 2.3767 2.3815 2.4073 2.4204
2.9147 2.9163 3.0156 3.0485 3.1621 3.1709 3.2620 3.2648
3.2834 3.3004 3.4805 3.5031 3.8096 3.8314 3.9839 4.0139
4.0677 4.0838 4.1428 4.1600 4.4744 4.4973 4.5690 4.5715
4.6631 4.6913 4.9473 4.9570 5.5661 5.5792 5.6344 5.6402
6.1805 6.1833 6.2831 6.2851 6.5357 6.5492 6.6881 6.6937
6.8749 6.8840 6.9783 7.0134 7.1210 7.1470 7.2029 7.2175
10.9034 10.9173
k = 0.0000 0.0517 0.4995 ( 6000 PWs) bands (ev):
-7.3388 -7.3387 -7.0052 -7.0050 -6.5730 -6.5730 -6.5688 -6.5688
1.1678 1.1687 1.2796 1.2822 1.5771 1.5778 1.7703 1.7780
2.1987 2.2207 2.3037 2.3266 2.3780 2.3829 2.4055 2.4160
2.9198 2.9211 3.0254 3.0508 3.1706 3.1772 3.2596 3.2622
3.2859 3.2987 3.4777 3.4960 3.8188 3.8362 3.9857 4.0100
4.0665 4.0787 4.1450 4.1574 4.4701 4.4855 4.5676 4.5738
4.6576 4.6813 4.9511 4.9586 5.5562 5.5660 5.6265 5.6309
6.1854 6.1879 6.2809 6.2828 6.5412 6.5515 6.6963 6.7003
6.8882 6.8965 6.9882 7.0192 7.1148 7.1410 7.1886 7.1984
10.8762 10.8869
k = 0.0000 0.0344 0.4995 ( 5988 PWs) bands (ev):
-7.3414 -7.3413 -7.0068 -7.0067 -6.5704 -6.5703 -6.5670 -6.5669
1.1704 1.1709 1.2751 1.2768 1.5772 1.5776 1.7737 1.7789
2.2066 2.2219 2.3088 2.3250 2.3800 2.3840 2.4046 2.4121
2.9235 2.9245 3.0338 3.0511 3.1770 3.1815 3.2584 3.2603
3.2883 3.2968 3.4768 3.4897 3.8267 3.8389 3.9884 4.0056
4.0663 4.0745 4.1470 4.1551 4.4668 4.4763 4.5685 4.5751
4.6546 4.6721 4.9545 4.9596 5.5492 5.5558 5.6209 5.6240
6.1893 6.1911 6.2798 6.2813 6.5458 6.5528 6.7022 6.7047
6.9007 6.9071 6.9965 7.0202 7.1099 7.1322 7.1802 7.1857
10.8570 10.8643
k = 0.0000 0.0172 0.4995 ( 5976 PWs) bands (ev):
-7.3430 -7.3429 -7.0078 -7.0077 -6.5690 -6.5689 -6.5657 -6.5657
1.1720 1.1723 1.2725 1.2733 1.5772 1.5774 1.7763 1.7789
2.2130 2.2208 2.3139 2.3222 2.3820 2.3844 2.4046 2.4086
2.9259 2.9264 3.0407 3.0494 3.1813 3.1836 3.2580 3.2590
3.2906 3.2947 3.4777 3.4843 3.8329 3.8392 3.9921 4.0010
4.0669 4.0710 4.1488 4.1528 4.4654 4.4699 4.5707 4.5749
4.6547 4.6641 4.9571 4.9597 5.5456 5.5489 5.6179 5.6195
6.1919 6.1929 6.2794 6.2802 6.5494 6.5530 6.7058 6.7070
6.9104 6.9140 7.0040 7.0171 7.1084 7.1214 7.1767 7.1791
10.8462 10.8499
k = 0.0000 0.0000 0.4995 ( 5942 PWs) bands (ev):
-7.3435 -7.3435 -7.0080 -7.0080 -6.5685 -6.5685 -6.5653 -6.5653
1.1727 1.1727 1.2719 1.2719 1.5773 1.5773 1.7781 1.7781
2.2178 2.2178 2.3185 2.3185 2.3837 2.3837 2.4061 2.4061
2.9269 2.9269 3.0459 3.0459 3.1836 3.1836 3.2583 3.2583
3.2927 3.2927 3.4803 3.4803 3.8373 3.8373 3.9964 3.9964
4.0686 4.0686 4.1508 4.1508 4.4664 4.4664 4.5733 4.5733
4.6581 4.6581 4.9590 4.9590 5.5456 5.5456 5.6175 5.6175
6.1933 6.1933 6.2797 6.2797 6.5518 6.5518 6.7074 6.7074
6.9153 6.9153 7.0112 7.0112 7.1125 7.1125 7.1766 7.1766
10.8439 10.8439
k = 0.0000 0.4995-0.0000 ( 5942 PWs) bands (ev):
-7.2644 -7.2644 -7.0964 -7.0964 -6.5677 -6.5677 -6.5630 -6.5630
1.2488 1.2488 1.3735 1.3735 1.5836 1.5836 1.7614 1.7614
2.1107 2.1107 2.2534 2.2534 2.3899 2.3899 2.4120 2.4120
2.8636 2.8636 3.0242 3.0242 3.0648 3.0648 3.3021 3.3021
3.3413 3.3413 3.4689 3.4689 3.7736 3.7736 3.9660 3.9660
4.0745 4.0745 4.1608 4.1608 4.4247 4.4247 4.6609 4.6609
4.7871 4.7871 4.9961 4.9961 5.5267 5.5267 5.7307 5.7307
6.2011 6.2011 6.2580 6.2580 6.6584 6.6584 6.7441 6.7441
6.9201 6.9201 6.9551 6.9551 7.0124 7.0124 7.0605 7.0605
10.8758 10.8758
k = 0.0000 0.4995 0.0172 ( 5976 PWs) bands (ev):
-7.2640 -7.2639 -7.0961 -7.0960 -6.5682 -6.5681 -6.5635 -6.5634
1.2480 1.2481 1.3734 1.3752 1.5834 1.5836 1.7597 1.7624
2.1070 2.1141 2.2485 2.2565 2.3885 2.3910 2.4102 2.4141
2.8634 2.8639 3.0205 3.0264 3.0633 3.0641 3.2985 3.3050
3.3408 3.3419 3.4675 3.4718 3.7716 3.7743 3.9643 3.9679
4.0746 4.0754 4.1600 4.1614 4.4251 4.4258 4.6566 4.6652
4.7822 4.7928 4.9946 4.9967 5.5269 5.5297 5.7309 5.7329
6.2004 6.2023 6.2562 6.2574 6.6554 6.6589 6.7434 6.7438
6.9089 6.9164 6.9428 6.9694 7.0030 7.0321 7.0616 7.0632
10.8785 10.8823
k = 0.0000 0.4995 0.0344 ( 5988 PWs) bands (ev):
-7.2627 -7.2625 -7.0950 -7.0949 -6.5694 -6.5692 -6.5649 -6.5647
1.2459 1.2461 1.3751 1.3787 1.5831 1.5836 1.7574 1.7628
2.1029 2.1171 2.2419 2.2579 2.3869 2.3916 2.4088 2.4165
2.8636 2.8644 3.0154 3.0270 3.0598 3.0615 3.2944 3.3072
3.3405 3.3425 3.4679 3.4763 3.7687 3.7741 3.9628 3.9699
4.0759 4.0774 4.1592 4.1620 4.4272 4.4286 4.6527 4.6694
4.7784 4.7992 4.9925 4.9968 5.5305 5.5361 5.7337 5.7374
6.2004 6.2045 6.2523 6.2550 6.6499 6.6569 6.7415 6.7426
6.8883 6.9030 6.9353 6.9690 7.0143 7.0506 7.0678 7.0738
10.8903 10.8978
k = 0.0000 0.4995 0.0517 ( 6000 PWs) bands (ev):
-7.2604 -7.2602 -7.0933 -7.0931 -6.5713 -6.5710 -6.5672 -6.5669
1.2425 1.2427 1.3786 1.3839 1.5826 1.5834 1.7546 1.7626
2.0981 2.1196 2.2338 2.2578 2.3852 2.3918 2.4078 2.4189
2.8640 2.8650 3.0088 3.0262 3.0542 3.0571 3.2898 3.3087
3.3402 3.3432 3.4701 3.4821 3.7650 3.7728 3.9618 3.9720
4.0781 4.0804 4.1583 4.1625 4.4310 4.4330 4.6493 4.6734
4.7758 4.8060 4.9899 4.9962 5.5372 5.5456 5.7389 5.7444
6.2008 6.2072 6.2467 6.2513 6.6424 6.6525 6.7375 6.7399
6.8669 6.8855 6.9271 6.9602 7.0323 7.0604 7.0818 7.0971
10.9111 10.9223
k = 0.0000 0.4995 0.0689 ( 6004 PWs) bands (ev):
-7.2573 -7.2571 -7.0908 -7.0906 -6.5740 -6.5736 -6.5704 -6.5700
1.2379 1.2380 1.3837 1.3907 1.5821 1.5831 1.7511 1.7619
2.0926 2.1216 2.2246 2.2566 2.3837 2.3917 2.4072 2.4215
2.8643 2.8653 3.0009 3.0237 3.0468 3.0514 3.2848 3.3096
3.3401 3.3439 3.4741 3.4891 3.7604 3.7706 3.9611 3.9740
4.0813 4.0845 4.1573 4.1628 4.4362 4.4389 4.6466 4.6772
4.7746 4.8132 4.9870 4.9951 5.5468 5.5580 5.7463 5.7533
6.2010 6.2101 6.2405 6.2472 6.6332 6.6461 6.7303 6.7347
6.8486 6.8681 6.9166 6.9476 7.0481 7.0680 7.1042 7.1259
10.9407 10.9553
k = 0.0000 0.4995 0.0861 ( 6006 PWs) bands (ev):
-7.2533 -7.2530 -7.0877 -7.0874 -6.5775 -6.5771 -6.5743 -6.5739
1.2321 1.2322 1.3905 1.3991 1.5813 1.5827 1.7471 1.7607
2.0861 2.1224 2.2149 2.2546 2.3823 2.3915 2.4069 2.4241
2.8644 2.8653 2.9915 3.0194 3.0379 3.0446 3.2795 3.3097
3.3402 3.3447 3.4795 3.4969 3.7552 3.7675 3.9608 3.9758
4.0853 4.0895 4.1562 4.1630 4.4426 4.4460 4.6450 4.6810
4.7746 4.8205 4.9839 4.9936 5.5589 5.5728 5.7559 5.7641
6.2002 6.2110 6.2362 6.2444 6.6227 6.6380 6.7186 6.7258
6.8348 6.8539 6.9032 6.9311 7.0625 7.0766 7.1317 7.1564
10.9787 10.9966
k = 0.0000 0.4995 0.1033 ( 6006 PWs) bands (ev):
-7.2484 -7.2481 -7.0839 -7.0835 -6.5819 -6.5816 -6.5787 -6.5785
1.2250 1.2254 1.3990 1.4091 1.5805 1.5823 1.7425 1.7590
2.0784 2.1214 2.2058 2.2523 2.3811 2.3913 2.4067 2.4268
2.8640 2.8645 2.9808 3.0128 3.0283 3.0370 3.2740 3.3090
3.3405 3.3456 3.4862 3.5054 3.7495 3.7635 3.9608 3.9776
4.0900 4.0951 4.1550 4.1629 4.4502 4.4542 4.6445 4.6848
4.7756 4.8277 4.9806 4.9918 5.5729 5.5896 5.7673 5.7763
6.1974 6.2067 6.2379 6.2446 6.6114 6.6287 6.7026 6.7124
6.8256 6.8444 6.8877 6.9111 7.0773 7.0868 7.1615 7.1874
11.0248 11.0456
k = 0.0000 0.4995 0.1206 ( 6006 PWs) bands (ev):
-7.2427 -7.2423 -7.0794 -7.0790 -6.5873 -6.5872 -6.5836 -6.5836
1.2170 1.2176 1.4089 1.4206 1.5795 1.5818 1.7373 1.7569
2.0695 2.1176 2.1986 2.2502 2.3802 2.3914 2.4065 2.4295
2.8626 2.8629 2.9689 3.0030 3.0191 3.0288 3.2685 3.3076
3.3412 3.3466 3.4939 3.5143 3.7434 3.7590 3.9611 3.9790
4.0950 4.1011 4.1538 4.1627 4.4587 4.4632 4.6452 4.6888
4.7775 4.8346 4.9776 4.9900 5.5884 5.6079 5.7801 5.7893
6.1927 6.1982 6.2451 6.2486 6.5998 6.6187 6.6832 6.6950
6.8184 6.8398 6.8715 6.8881 7.0927 7.0986 7.1923 7.2185
11.0785 11.1018
k = 0.0000 0.4995 0.1378 ( 6000 PWs) bands (ev):
-7.2361 -7.2357 -7.0743 -7.0738 -6.5938 -6.5936 -6.5892 -6.5890
1.2081 1.2091 1.4203 1.4336 1.5783 1.5814 1.7317 1.7544
2.0592 2.1102 2.1943 2.2485 2.3796 2.3918 2.4062 2.4322
2.8595 2.8609 2.9558 2.9900 3.0107 3.0203 3.2631 3.3054
3.3422 3.3476 3.5025 3.5234 3.7371 3.7539 3.9617 3.9804
4.1000 4.1071 4.1529 4.1626 4.4679 4.4728 4.6471 4.6934
4.7801 4.8413 4.9747 4.9881 5.6048 5.6269 5.7935 5.8024
6.1874 6.1887 6.2557 6.2562 6.5881 6.6085 6.6620 6.6746
6.8090 6.8388 6.8584 6.8626 7.1088 7.1116 7.2232 7.2493
11.1390 11.1645
k = 0.0000 0.4995 0.1550 ( 6002 PWs) bands (ev):
-7.2288 -7.2283 -7.0685 -7.0679 -6.6014 -6.6010 -6.5954 -6.5949
1.1985 1.1998 1.4328 1.4478 1.5770 1.5810 1.7256 1.7517
2.0477 2.0992 2.1933 2.2477 2.3792 2.3927 2.4059 2.4350
2.8548 2.8578 2.9415 2.9744 3.0025 3.0118 3.2580 3.3025
3.3437 3.3488 3.5116 3.5325 3.7306 3.7485 3.9623 3.9813
4.1043 4.1123 4.1527 4.1631 4.4775 4.4828 4.6503 4.6986
4.7830 4.8474 4.9723 4.9864 5.6213 5.6461 5.8070 5.8148
6.1800 6.1830 6.2669 6.2689 6.5769 6.5982 6.6403 6.6525
6.7928 6.8336 6.8420 6.8520 7.1252 7.1254 7.2540 7.2797
11.2054 11.2324
k = 0.0000 0.4995 0.1722 ( 5998 PWs) bands (ev):
-7.2206 -7.2201 -7.0621 -7.0615 -6.6097 -6.6092 -6.6020 -6.6014
1.1884 1.1899 1.4465 1.4630 1.5755 1.5808 1.7192 1.7489
2.0350 2.0853 2.1949 2.2477 2.3790 2.3941 2.4056 2.4379
2.8483 2.8534 2.9263 2.9570 2.9943 3.0031 3.2531 3.2990
3.3457 3.3503 3.5211 3.5416 3.7241 3.7429 3.9630 3.9820
4.1071 4.1160 4.1541 4.1650 4.4875 4.4931 4.6547 4.7045
4.7861 4.8531 4.9702 4.9849 5.6375 5.6648 5.8196 5.8255
6.1735 6.1812 6.2803 6.2844 6.5666 6.5883 6.6192 6.6297
6.7704 6.8053 6.8450 6.8516 7.1398 7.1417 7.2842 7.3095
11.2765 11.3035
k = 0.0000 0.4995 0.1895 ( 6004 PWs) bands (ev):
-7.2117 -7.2111 -7.0552 -7.0545 -6.6189 -6.6183 -6.6092 -6.6085
1.1779 1.1797 1.4609 1.4788 1.5739 1.5811 1.7125 1.7462
2.0215 2.0695 2.1986 2.2487 2.3790 2.3961 2.4051 2.4409
2.8398 2.8476 2.9104 2.9381 2.9858 2.9946 3.2486 3.2950
3.3481 3.3520 3.5307 3.5504 3.7177 3.7371 3.9637 3.9824
4.1077 4.1173 4.1575 4.1687 4.4977 4.5033 4.6602 4.7111
4.7892 4.8583 4.9685 4.9837 5.6528 5.6824 5.8303 5.8336
6.1702 6.1832 6.2962 6.3018 6.5578 6.5781 6.6003 6.6067
6.7447 6.7753 6.8500 6.8546 7.1542 7.1580 7.3137 7.3384
11.3497 11.3697
k = 0.0000 0.4995 0.2067 ( 6020 PWs) bands (ev):
-7.2022 -7.2015 -7.0477 -7.0469 -6.6288 -6.6281 -6.6169 -6.6161
1.1671 1.1692 1.4758 1.4948 1.5721 1.5823 1.7057 1.7439
2.0073 2.0527 2.2036 2.2507 2.3791 2.3986 2.4046 2.4441
2.8291 2.8402 2.8942 2.9179 2.9771 2.9861 3.2444 3.2906
3.3509 3.3539 3.5404 3.5590 3.7113 3.7311 3.9642 3.9824
4.1061 4.1162 4.1631 4.1745 4.5079 4.5135 4.6666 4.7185
4.7923 4.8628 4.9672 4.9825 5.6666 5.6982 5.8381 5.8384
6.1712 6.1897 6.3140 6.3205 6.5511 6.5653 6.5840 6.5870
6.7174 6.7448 6.8561 6.8595 7.1684 7.1739 7.3421 7.3662
11.4119 11.4159
k = 0.0000 0.4995 0.2239 ( 6022 PWs) bands (ev):
-7.1919 -7.1912 -7.0396 -7.0388 -6.6394 -6.6386 -6.6251 -6.6243
1.1562 1.1585 1.4908 1.5098 1.5703 1.5852 1.6991 1.7423
1.9928 2.0354 2.2096 2.2534 2.3793 2.4011 2.4045 2.4473
2.8159 2.8312 2.8780 2.8969 2.9683 2.9777 3.2407 3.2859
3.3541 3.3562 3.5501 3.5674 3.7051 3.7253 3.9646 3.9822
4.1027 4.1131 4.1704 4.1819 4.5182 4.5236 4.6737 4.7264
4.7952 4.8667 4.9663 4.9817 5.6787 5.7119 5.8397 5.8425
6.1772 6.2012 6.3328 6.3398 6.5474 6.5492 6.5621 6.5815
6.6897 6.7144 6.8630 6.8655 7.1822 7.1891 7.3695 7.3929
11.4421 11.4515
k = 0.0000 0.4995 0.2411 ( 6026 PWs) bands (ev):
-7.1811 -7.1803 -7.0311 -7.0302 -6.6506 -6.6497 -6.6338 -6.6329
1.1454 1.1478 1.5055 1.5224 1.5684 1.5906 1.6931 1.7419
1.9782 2.0182 2.2163 2.2569 2.3796 2.4016 2.4070 2.4508
2.7999 2.8201 2.8625 2.8756 2.9595 2.9693 3.2373 3.2810
3.3576 3.3587 3.5597 3.5755 3.6992 3.7195 3.9648 3.9815
4.0980 4.1085 4.1787 4.1903 4.5283 4.5335 4.6815 4.7347
4.7981 4.8699 4.9658 4.9809 5.6889 5.7232 5.8376 5.8431
6.1879 6.2173 6.3513 6.3581 6.5322 6.5403 6.5489 6.5824
6.6624 6.6847 6.8706 6.8723 7.1953 7.2035 7.3955 7.4181
11.4683 11.4766
k = 0.0000 0.4995 0.2584 ( 6026 PWs) bands (ev):
-7.1696 -7.1689 -7.0221 -7.0212 -6.6623 -6.6615 -6.6429 -6.6420
1.1348 1.1373 1.5191 1.5313 1.5667 1.5992 1.6885 1.7431
1.9639 2.0012 2.2235 2.2610 2.3799 2.4008 2.4114 2.4545
2.7812 2.8063 2.8477 2.8550 2.9507 2.9610 3.2342 3.2759
3.3613 3.3614 3.5690 3.5832 3.6935 3.7139 3.9648 3.9806
4.0926 4.1030 4.1877 4.1992 4.5383 4.5432 4.6896 4.7431
4.8007 4.8726 4.9654 4.9802 5.6969 5.7318 5.8326 5.8403
6.2029 6.2372 6.3676 6.3741 6.5161 6.5204 6.5556 6.5887
6.6372 6.6560 6.8788 6.8799 7.2075 7.2168 7.4200 7.4419
11.4907 11.4979
k = 0.0000 0.4995 0.2756 ( 6028 PWs) bands (ev):
-7.1577 -7.1570 -7.0127 -7.0118 -6.6746 -6.6737 -6.6525 -6.6514
1.1244 1.1270 1.5309 1.5364 1.5653 1.6094 1.6869 1.7465
1.9500 1.9849 2.2310 2.2657 2.3802 2.3996 2.4167 2.4584
2.7600 2.7891 2.8339 2.8361 2.9421 2.9528 3.2315 3.2709
3.3644 3.3652 3.5781 3.5905 3.6882 3.7083 3.9645 3.9793
4.0868 4.0969 4.1970 4.2084 4.5481 4.5527 4.6979 4.7514
4.8034 4.8746 4.9651 4.9795 5.7030 5.7378 5.8255 5.8347
6.2211 6.2598 6.3802 6.3864 6.5012 6.5012 6.5690 6.5933
6.6221 6.6297 6.8877 6.8882 7.2185 7.2289 7.4429 7.4640
11.5084 11.5151
k = 0.0000 0.4995 0.2928 ( 6034 PWs) bands (ev):
-7.1454 -7.1446 -7.0030 -7.0020 -6.6872 -6.6863 -6.6623 -6.6613
1.1145 1.1171 1.5386 1.5397 1.5647 1.6179 1.6907 1.7525
1.9368 1.9694 2.2388 2.2706 2.3804 2.3981 2.4227 2.4624
2.7369 2.7681 2.8197 2.8208 2.9336 2.9446 3.2292 3.2659
3.3675 3.3692 3.5868 3.5974 3.6831 3.7030 3.9641 3.9778
4.0809 4.0905 4.2064 4.2174 4.5576 4.5619 4.7063 4.7592
4.8060 4.8759 4.9649 4.9787 5.7071 5.7413 5.8171 5.8271
6.2411 6.2839 6.3884 6.3946 6.4834 6.4879 6.5779 6.5824
6.6126 6.6356 6.8971 6.8973 7.2281 7.2395 7.4640 7.4842
11.5196 11.5256
k = 0.0000 0.4995 0.3100 ( 6022 PWs) bands (ev):
-7.1328 -7.1319 -6.9929 -6.9919 -6.7002 -6.6992 -6.6725 -6.6714
1.1051 1.1076 1.5389 1.5447 1.5657 1.6215 1.7019 1.7613
1.9244 1.9548 2.2468 2.2759 2.3805 2.3965 2.4293 2.4666
2.7122 2.7442 2.8053 2.8083 2.9255 2.9366 3.2272 3.2610
3.3708 3.3731 3.5953 3.6040 3.6785 3.6980 3.9634 3.9759
4.0750 4.0841 4.2156 4.2263 4.5669 4.5708 4.7145 4.7664
4.8089 4.8767 4.9647 4.9777 5.7096 5.7427 5.8079 5.8183
6.2615 6.3081 6.3932 6.3995 6.4669 6.4764 6.5570 6.5702
6.6296 6.6627 6.9068 6.9076 7.2363 7.2485 7.4834 7.5026
11.5025 11.5038
k = 0.0000 0.4995 0.3273 ( 6026 PWs) bands (ev):
-7.1199 -7.1190 -6.9827 -6.9817 -6.7134 -6.7124 -6.6828 -6.6817
1.0962 1.0987 1.5382 1.5460 1.5681 1.6205 1.7193 1.7729
1.9131 1.9414 2.2547 2.2812 2.3804 2.3947 2.4363 2.4709
2.6866 2.7184 2.7923 2.7963 2.9177 2.9287 3.2255 3.2564
3.3740 3.3769 3.6031 3.6100 3.6742 3.6932 3.9625 3.9739
4.0694 4.0778 4.2246 4.2347 4.5759 4.5795 4.7224 4.7724
4.8122 4.8770 4.9644 4.9765 5.7108 5.7422 5.7984 5.8087
6.2809 6.3309 6.3959 6.4021 6.4522 6.4666 6.5372 6.5493
6.6620 6.6954 6.9171 6.9185 7.2427 7.2557 7.5008 7.5190
11.4686 11.4688
k = 0.0000 0.4995 0.3445 ( 6024 PWs) bands (ev):
-7.1069 -7.1060 -6.9723 -6.9713 -6.7267 -6.7257 -6.6933 -6.6922
1.0881 1.0904 1.5369 1.5450 1.5705 1.6167 1.7406 1.7867
1.9028 1.9294 2.2626 2.2866 2.3801 2.3927 2.4438 2.4751
2.6606 2.6918 2.7802 2.7849 2.9104 2.9212 3.2242 3.2520
3.3772 3.3805 3.6106 3.6156 3.6703 3.6886 3.9614 3.9716
4.0641 4.0718 4.2332 4.2426 4.5846 4.5877 4.7300 4.7771
4.8161 4.8767 4.9639 4.9751 5.7108 5.7403 5.7889 5.7990
6.2978 6.3500 6.3983 6.4036 6.4402 6.4581 6.5201 6.5292
6.6988 6.7312 6.9281 6.9300 7.2473 7.2609 7.5163 7.5334
11.4336 11.4344
k = 0.0000 0.4995 0.3617 ( 6020 PWs) bands (ev):
-7.0939 -7.0931 -6.9619 -6.9609 -6.7399 -6.7389 -6.7038 -6.7026
1.0806 1.0828 1.5352 1.5431 1.5722 1.6116 1.7635 1.8020
1.8938 1.9189 2.2704 2.2919 2.3796 2.3907 2.4516 2.4792
2.6346 2.6651 2.7689 2.7740 2.9037 2.9140 3.2232 3.2478
3.3804 3.3838 3.6175 3.6207 3.6668 3.6844 3.9602 3.9692
4.0593 4.0663 4.2413 4.2499 4.5928 4.5956 4.7371 4.7804
4.8206 4.8760 4.9633 4.9734 5.7102 5.7374 5.7797 5.7894
6.3113 6.3624 6.4007 6.4051 6.4334 6.4506 6.5067 6.5110
6.7375 6.7684 6.9395 6.9419 7.2500 7.2642 7.5299 7.5457
11.4001 11.4016
k = 0.0000 0.4995 0.3789 ( 6024 PWs) bands (ev):
-7.0812 -7.0803 -6.9516 -6.9506 -6.7529 -6.7519 -6.7141 -6.7130
1.0740 1.0760 1.5335 1.5407 1.5730 1.6061 1.7867 1.8177
1.8864 1.9103 2.2780 2.2970 2.3789 2.3884 2.4596 2.4828
2.6092 2.6390 2.7583 2.7636 2.8976 2.9072 3.2224 3.2439
3.3834 3.3868 3.6239 3.6253 3.6637 3.6804 3.9589 3.9667
4.0550 4.0611 4.2488 4.2565 4.6005 4.6029 4.7438 4.7824
4.8255 4.8748 4.9625 4.9715 5.7091 5.7339 5.7711 5.7803
6.3208 6.3675 6.3994 6.4066 6.4364 6.4432 6.4951 6.4979
6.7766 6.8057 6.9511 6.9538 7.2509 7.2653 7.5416 7.5560
11.3693 11.3713
k = 0.0000 0.4995 0.3962 ( 6032 PWs) bands (ev):
-7.0689 -7.0681 -6.9416 -6.9406 -6.7653 -6.7644 -6.7242 -6.7231
1.0682 1.0699 1.5317 1.5382 1.5734 1.6006 1.8090 1.8323
1.8808 1.9042 2.2853 2.3017 2.3780 2.3861 2.4674 2.4859
2.5852 2.6141 2.7487 2.7540 2.8923 2.9010 3.2219 3.2403
3.3861 3.3894 3.6294 3.6296 3.6610 3.6768 3.9577 3.9642
4.0512 4.0565 4.2555 4.2623 4.6075 4.6096 4.7498 4.7833
4.8306 4.8733 4.9616 4.9694 5.7080 5.7303 5.7632 5.7719
6.3269 6.3675 6.3944 6.4081 6.4353 6.4456 6.4825 6.4942
6.8146 6.8416 6.9626 6.9655 7.2500 7.2643 7.5515 7.5643
11.3418 11.3440
k = 0.0000 0.4995 0.4134 ( 6028 PWs) bands (ev):
-7.0573 -7.0566 -6.9320 -6.9311 -6.7770 -6.7761 -6.7337 -6.7327
1.0632 1.0647 1.5302 1.5357 1.5734 1.5954 1.8286 1.8439
1.8780 1.9015 2.2921 2.3059 2.3770 2.3837 2.4749 2.4880
2.5633 2.5914 2.7401 2.7452 2.8878 2.8955 3.2218 3.2371
3.3886 3.3917 3.6330 3.6346 3.6588 3.6735 3.9565 3.9619
4.0481 4.0526 4.2615 4.2673 4.6139 4.6156 4.7554 4.7834
4.8358 4.8715 4.9607 4.9672 5.7071 5.7266 5.7562 5.7643
6.3306 6.3646 6.3897 6.4091 6.4272 6.4515 6.4767 6.4946
6.8507 6.8751 6.9737 6.9765 7.2477 7.2615 7.5598 7.5708
11.3181 11.3203
k = 0.0000 0.4995 0.4306 ( 6016 PWs) bands (ev):
-7.0469 -7.0462 -6.9233 -6.9225 -6.7875 -6.7868 -6.7423 -6.7415
1.0592 1.0604 1.5289 1.5334 1.5735 1.5907 1.8426 1.8509
1.8801 1.9030 2.2983 2.3095 2.3760 2.3813 2.4817 2.4890
2.5446 2.5715 2.7328 2.7374 2.8843 2.8906 3.2220 3.2342
3.3909 3.3935 3.6360 3.6388 3.6574 3.6706 3.9555 3.9598
4.0457 4.0493 4.2666 4.2713 4.6194 4.6207 4.7604 4.7827
4.8408 4.8693 4.9598 4.9651 5.7065 5.7229 5.7504 5.7577
6.3329 6.3601 6.3869 6.4090 6.4202 6.4479 6.4814 6.4973
6.8835 6.9047 6.9839 6.9865 7.2443 7.2571 7.5665 7.5756
11.2985 11.3004
k = 0.0000 0.4995 0.4478 ( 6020 PWs) bands (ev):
-7.0379 -7.0374 -6.9157 -6.9150 -6.7964 -6.7958 -6.7498 -6.7491
1.0560 1.0570 1.5279 1.5314 1.5738 1.5864 1.8490 1.8535
1.8884 1.9074 2.3037 2.3123 2.3751 2.3790 2.4867 2.4886
2.5305 2.5551 2.7269 2.7308 2.8817 2.8866 3.2224 3.2315
3.3927 3.3948 3.6385 3.6418 3.6567 3.6678 3.9547 3.9579
4.0438 4.0466 4.2708 4.2744 4.6238 4.6248 4.7648 4.7815
4.8455 4.8669 4.9592 4.9631 5.7065 5.7194 5.7460 5.7521
6.3346 6.3549 6.3859 6.4060 6.4170 6.4408 6.4892 6.5006
6.9119 6.9291 6.9927 6.9948 7.2407 7.2517 7.5718 7.5788
11.2831 11.2847
k = 0.0000 0.4995 0.4651 ( 6036 PWs) bands (ev):
-7.0310 -7.0306 -6.9097 -6.9092 -6.8033 -6.8029 -6.7556 -6.7551
1.0538 1.0545 1.5274 1.5297 1.5745 1.5828 1.8508 1.8535
1.8989 1.9120 2.3083 2.3140 2.3744 2.3770 2.4872 2.4885
2.5231 2.5425 2.7229 2.7257 2.8800 2.8833 3.2231 3.2292
3.3942 3.3956 3.6406 3.6435 3.6570 3.6651 3.9541 3.9562
4.0426 4.0444 4.2740 4.2764 4.6271 4.6278 4.7687 4.7798
4.8499 4.8641 4.9588 4.9614 5.7071 5.7161 5.7433 5.7476
6.3364 6.3498 6.3864 6.4007 6.4175 6.4338 6.4961 6.5032
6.9347 6.9469 6.9996 7.0010 7.2377 7.2459 7.5758 7.5806
11.2721 11.2732
k = 0.0000 0.4995 0.4823 ( 6028 PWs) bands (ev):
-7.0265 -7.0263 -6.9058 -6.9056 -6.8076 -6.8074 -6.7593 -6.7590
1.0526 1.0529 1.5273 1.5285 1.5757 1.5798 1.8513 1.8527
1.9078 1.9144 2.3117 2.3146 2.3742 2.3755 2.4860 2.4873
2.5226 2.5332 2.7207 2.7222 2.8794 2.8811 3.2242 3.2272
3.3952 3.3960 3.6422 3.6439 3.6584 3.6627 3.9540 3.9550
4.0421 4.0430 4.2762 4.2774 4.6293 4.6296 4.7722 4.7777
4.8540 4.8611 4.9588 4.9601 5.7084 5.7130 5.7421 5.7444
6.3387 6.3453 6.3882 6.3955 6.4198 6.4280 6.5011 6.5045
6.9504 6.9568 7.0042 7.0048 7.2364 7.2408 7.5787 7.5811
11.2656 11.2662
k = 0.0000 0.4995 0.4995 ( 6024 PWs) bands (ev):
-7.0249 -7.0249 -6.9044 -6.9044 -6.8090 -6.8090 -6.7605 -6.7605
1.0523 1.0523 1.5277 1.5277 1.5775 1.5775 1.8519 1.8519
1.9131 1.9131 2.3139 2.3139 2.3745 2.3745 2.4859 2.4859
2.5266 2.5266 2.7205 2.7205 2.8798 2.8798 3.2256 3.2256
3.3958 3.3958 3.6434 3.6434 3.6604 3.6604 3.9543 3.9543
4.0422 4.0422 4.2773 4.2773 4.6301 4.6301 4.7752 4.7752
4.8577 4.8577 4.9592 4.9592 5.7105 5.7105 5.7426 5.7426
6.3416 6.3416 6.3913 6.3913 6.4233 6.4233 6.5038 6.5038
6.9580 6.9580 7.0059 7.0059 7.2375 7.2375 7.5805 7.5805
11.2636 11.2636
k = 0.5000-0.0000 0.4995 ( 6024 PWs) bands (ev):
-7.0428 -7.0428 -6.8860 -6.8860 -6.8349 -6.8349 -6.7343 -6.7343
1.1916 1.1916 1.3825 1.3825 1.5655 1.5655 1.8998 1.8998
1.9420 1.9420 2.2785 2.2785 2.3741 2.3741 2.4081 2.4081
2.5072 2.5072 2.7814 2.7814 2.8622 2.8622 2.9961 2.9961
3.3773 3.3773 3.6160 3.6160 3.7326 3.7326 3.8820 3.8820
4.1608 4.1608 4.2329 4.2329 4.5981 4.5981 4.8972 4.8972
5.0022 5.0022 5.3257 5.3257 5.6669 5.6669 5.8390 5.8390
6.1975 6.1975 6.2124 6.2124 6.2755 6.2755 6.3746 6.3746
6.9669 6.9669 7.0653 7.0653 7.3898 7.3898 7.5323 7.5323
11.5835 11.5835
k = 0.5000-0.0000 0.4823 ( 6032 PWs) bands (ev):
-7.0446 -7.0444 -6.8872 -6.8869 -6.8332 -6.8330 -6.7334 -6.7331
1.1916 1.1921 1.3826 1.3830 1.5659 1.5660 1.8977 1.9008
1.9383 1.9405 2.2729 2.2834 2.3696 2.3828 2.4062 2.4115
2.5030 2.5126 2.7818 2.7822 2.8626 2.8627 2.9955 2.9964
3.3753 3.3791 3.6141 3.6177 3.7316 3.7329 3.8820 3.8828
4.1601 4.1614 4.2322 4.2326 4.5961 4.6019 4.8960 4.8989
4.9998 5.0023 5.3255 5.3275 5.6619 5.6711 5.8358 5.8439
6.1892 6.1904 6.2105 6.2121 6.2754 6.2769 6.3817 6.3850
6.9539 6.9641 7.0657 7.0738 7.3735 7.3881 7.5307 7.5461
11.5789 11.5880
k = 0.5000-0.0000 0.4651 ( 6032 PWs) bands (ev):
-7.0497 -7.0494 -6.8904 -6.8898 -6.8282 -6.8278 -6.7305 -6.7299
1.1922 1.1932 1.3834 1.3843 1.5672 1.5676 1.8946 1.8993
1.9297 1.9359 2.2669 2.2876 2.3685 2.3957 2.4056 2.4169
2.5003 2.5194 2.7835 2.7842 2.8640 2.8640 2.9947 2.9965
3.3733 3.3810 3.6119 3.6190 3.7300 3.7326 3.8829 3.8845
4.1595 4.1621 4.2306 4.2312 4.5960 4.6074 4.8953 4.9012
4.9953 5.0002 5.3271 5.3309 5.6566 5.6747 5.8345 5.8504
6.1693 6.1710 6.2065 6.2097 6.2763 6.2794 6.4032 6.4091
6.9306 6.9467 7.0743 7.0864 7.3456 7.3686 7.5413 7.5661
11.5760 11.5921
k = 0.5000-0.0000 0.4478 ( 6024 PWs) bands (ev):
-7.0576 -7.0572 -6.8953 -6.8945 -6.8202 -6.8197 -6.7259 -6.7250
1.1933 1.1948 1.3850 1.3863 1.5693 1.5700 1.8894 1.8922
1.9183 1.9321 2.2605 2.2910 2.3700 2.4057 2.4116 2.4243
2.4995 2.5281 2.7864 2.7875 2.8662 2.8664 2.9936 2.9965
3.3713 3.3827 3.6096 3.6200 3.7279 3.7315 3.8846 3.8872
4.1589 4.1627 4.2280 4.2289 4.5975 4.6146 4.8953 4.9042
4.9890 4.9960 5.3303 5.3359 5.6512 5.6773 5.8354 5.8581
6.1436 6.1451 6.2008 6.2055 6.2778 6.2826 6.4332 6.4411
6.9013 6.9204 7.0859 7.0990 7.3111 7.3377 7.5578 7.5872
11.5764 11.5973
k = 0.5000-0.0000 0.4306 ( 6028 PWs) bands (ev):
-7.0677 -7.0672 -6.9016 -6.9006 -6.8100 -6.8094 -6.7198 -6.7187
1.1950 1.1970 1.3872 1.3890 1.5722 1.5735 1.8777 1.8781
1.9090 1.9319 2.2539 2.2935 2.3726 2.4065 2.4284 2.4332
2.5016 2.5388 2.7905 2.7920 2.8692 2.8698 2.9923 2.9961
3.3693 3.3843 3.6070 3.6206 3.7252 3.7298 3.8871 3.8907
4.1582 4.1633 4.2243 4.2255 4.6005 4.6230 4.8963 4.9080
4.9806 4.9896 5.3351 5.3421 5.6457 5.6789 5.8382 5.8669
6.1156 6.1165 6.1936 6.1998 6.2797 6.2863 6.4676 6.4769
6.8684 6.8891 7.0969 7.1098 7.2725 7.3005 7.5755 7.6071
11.5810 11.6055
k = 0.5000-0.0000 0.4134 ( 6022 PWs) bands (ev):
-7.0795 -7.0789 -6.9090 -6.9079 -6.7981 -6.7974 -6.7125 -6.7113
1.1972 1.1998 1.3901 1.3923 1.5756 1.5778 1.8579 1.8591
1.9046 1.9345 2.2473 2.2950 2.3760 2.4077 2.4429 2.4429
2.5092 2.5522 2.7957 2.7976 2.8729 2.8743 2.9908 2.9956
3.3673 3.3859 3.6045 3.6208 3.7222 3.7274 3.8902 3.8948
4.1577 4.1639 4.2198 4.2213 4.6047 4.6322 4.8985 4.9129
4.9708 4.9814 5.3412 5.3494 5.6404 5.6797 5.8431 5.8766
6.0869 6.0871 6.1853 6.1928 6.2816 6.2902 6.5035 6.5139
6.8341 6.8554 7.1062 7.1181 7.2314 7.2594 7.5921 7.6250
11.5901 11.6176
k = 0.5000-0.0000 0.3962 ( 6028 PWs) bands (ev):
-7.0923 -7.0917 -6.9172 -6.9159 -6.7850 -6.7843 -6.7045 -6.7031
1.1999 1.2032 1.3936 1.3961 1.5793 1.5828 1.8351 1.8354
1.9032 1.9387 2.2407 2.2957 2.3798 2.4092 2.4522 2.4524
2.5239 2.5683 2.8020 2.8043 2.8774 2.8799 2.9891 2.9948
3.3653 3.3872 3.6018 3.6206 3.7188 3.7245 3.8938 3.8996
4.1571 4.1643 4.2143 4.2160 4.6094 4.6415 4.9022 4.9191
4.9597 4.9716 5.3485 5.3576 5.6354 5.6796 5.8497 5.8869
6.0579 6.0583 6.1759 6.1849 6.2831 6.2939 6.5385 6.5491
6.8010 6.8216 7.1132 7.1237 7.1886 7.2161 7.6065 7.6401
11.6034 11.6340
k = 0.5000-0.0000 0.3789 ( 6024 PWs) bands (ev):
-7.1058 -7.1052 -6.9258 -6.9245 -6.7712 -6.7704 -6.6960 -6.6945
1.2031 1.2072 1.3976 1.4005 1.5832 1.5886 1.8094 1.8109
1.9032 1.9438 2.2343 2.2956 2.3839 2.4110 2.4571 2.4606
2.5448 2.5869 2.8093 2.8121 2.8825 2.8866 2.9873 2.9940
3.3633 3.3883 3.5992 3.6200 3.7151 3.7212 3.8981 3.9050
4.1566 4.1647 4.2080 4.2099 4.6145 4.6504 4.9077 4.9255
4.9488 4.9608 5.3567 5.3664 5.6307 5.6790 5.8578 5.8977
6.0294 6.0306 6.1657 6.1761 6.2842 6.2972 6.5687 6.5772
6.7746 6.7920 7.1180 7.1267 7.1449 7.1715 7.6184 7.6523
11.6202 11.6542
k = 0.5000-0.0000 0.3617 ( 6016 PWs) bands (ev):
-7.1198 -7.1191 -6.9348 -6.9335 -6.7568 -6.7561 -6.6870 -6.6855
1.2068 1.2117 1.4020 1.4053 1.5866 1.5949 1.7823 1.7866
1.9040 1.9494 2.2283 2.2949 2.3882 2.4130 2.4592 2.4679
2.5691 2.6074 2.8175 2.8210 2.8882 2.8944 2.9853 2.9930
3.3614 3.3892 3.5967 3.6190 3.7113 3.7175 3.9027 3.9109
4.1560 4.1648 4.2010 4.2030 4.6193 4.6582 4.9139 4.9246
4.9466 4.9510 5.3658 5.3758 5.6266 5.6781 5.8673 5.9087
6.0019 6.0039 6.1546 6.1665 6.2845 6.3001 6.5864 6.5881
6.7648 6.7740 7.1008 7.1208 7.1222 7.1314 7.6276 7.6615
11.6373 11.6763
k = 0.5000-0.0000 0.3445 ( 6016 PWs) bands (ev):
-7.1339 -7.1332 -6.9440 -6.9426 -6.7423 -6.7415 -6.6779 -6.6764
1.2109 1.2167 1.4068 1.4104 1.5892 1.6017 1.7549 1.7632
1.9055 1.9553 2.2227 2.2938 2.3927 2.4151 2.4601 2.4743
2.5947 2.6289 2.8265 2.8308 2.8945 2.9033 2.9831 2.9918
3.3595 3.3898 3.5942 3.6176 3.7074 3.7135 3.9077 3.9171
4.1554 4.1644 4.1937 4.1955 4.6233 4.6642 4.9120 4.9148
4.9486 4.9575 5.3754 5.3855 5.6229 5.6770 5.8778 5.9198
5.9755 5.9786 6.1426 6.1562 6.2840 6.3022 6.5748 6.5827
6.7769 6.7792 7.0571 7.0797 7.1218 7.1271 7.6339 7.6679
11.6332 11.6634
k = 0.5000-0.0000 0.3273 ( 6026 PWs) bands (ev):
-7.1480 -7.1473 -6.9532 -6.9518 -6.7277 -6.7269 -6.6688 -6.6673
1.2154 1.2222 1.4118 1.4157 1.5902 1.6086 1.7279 1.7418
1.9076 1.9612 2.2179 2.2925 2.3973 2.4175 2.4606 2.4797
2.6204 2.6508 2.8363 2.8416 2.9014 2.9133 2.9809 2.9907
3.3576 3.3901 3.5919 3.6157 3.7035 3.7094 3.9129 3.9234
4.1545 4.1628 4.1866 4.1874 4.6263 4.6679 4.8961 4.9047
4.9598 4.9738 5.3853 5.3953 5.6198 5.6759 5.8890 5.9298
5.9504 5.9555 6.1298 6.1452 6.2825 6.3034 6.5438 6.5585
6.7997 6.8110 7.0143 7.0349 7.1214 7.1239 7.6376 7.6714
11.5943 11.6280
k = 0.5000-0.0000 0.3100 ( 6022 PWs) bands (ev):
-7.1619 -7.1612 -6.9623 -6.9610 -6.7133 -6.7125 -6.6597 -6.6582
1.2202 1.2281 1.4170 1.4212 1.5886 1.6156 1.7019 1.7237
1.9101 1.9671 2.2139 2.2912 2.4020 2.4201 2.4612 2.4845
2.6455 2.6725 2.8468 2.8534 2.9087 2.9243 2.9788 2.9896
3.3558 3.3902 3.5897 3.6135 3.6995 3.7051 3.9183 3.9298
4.1529 4.1590 4.1794 4.1811 4.6279 4.6692 4.8787 4.8892
4.9792 4.9938 5.3955 5.4052 5.6173 5.6748 5.9009 5.9267
5.9269 5.9467 6.1163 6.1337 6.2798 6.3036 6.5044 6.5227
6.8335 6.8512 6.9728 6.9912 7.1196 7.1205 7.6388 7.6724
11.5486 11.5836
k = 0.5000-0.0000 0.2928 ( 6034 PWs) bands (ev):
-7.1755 -7.1749 -6.9712 -6.9700 -6.6992 -6.6984 -6.6508 -6.6493
1.2252 1.2343 1.4223 1.4267 1.5836 1.6219 1.6776 1.7100
1.9129 1.9726 2.2110 2.2900 2.4068 2.4230 2.4618 2.4888
2.6694 2.6935 2.8578 2.8659 2.9165 2.9361 2.9769 2.9887
3.3540 3.3898 3.5876 3.6108 3.6957 3.7008 3.9238 3.9362
4.1497 4.1520 4.1724 4.1780 4.6281 4.6683 4.8602 4.8713
5.0037 5.0171 5.4057 5.4149 5.6155 5.6740 5.9044 5.9073
5.9131 5.9555 6.1019 6.1217 6.2758 6.3026 6.4617 6.4818
6.8713 6.8946 6.9332 6.9491 7.1149 7.1198 7.6377 7.6708
11.4995 11.5357
k = 0.5000-0.0000 0.2756 ( 6024 PWs) bands (ev):
-7.1887 -7.1881 -6.9800 -6.9787 -6.6854 -6.6847 -6.6420 -6.6406
1.2304 1.2406 1.4274 1.4321 1.5748 1.6254 1.6576 1.7013
1.9160 1.9776 2.2094 2.2890 2.4117 2.4262 2.4627 2.4927
2.6919 2.7133 2.8694 2.8790 2.9247 2.9481 2.9758 2.9882
3.3523 3.3891 3.5857 3.6078 3.6921 3.6965 3.9293 3.9425
4.1425 4.1439 4.1676 4.1767 4.6269 4.6653 4.8409 4.8521
5.0321 5.0437 5.4158 5.4244 5.6143 5.6735 5.8837 5.8876
5.9256 5.9653 6.0867 6.1094 6.2703 6.3001 6.4180 6.4391
6.8957 6.9084 6.9095 6.9389 7.1109 7.1209 7.6344 7.6671
11.4480 11.4852
k = 0.5000-0.0000 0.2584 ( 6018 PWs) bands (ev):
-7.2015 -7.2009 -6.9884 -6.9872 -6.6721 -6.6714 -6.6336 -6.6322
1.2356 1.2471 1.4324 1.4372 1.5631 1.6181 1.6500 1.6970
1.9193 1.9819 2.2091 2.2884 2.4166 2.4296 2.4637 2.4961
2.7126 2.7319 2.8811 2.8922 2.9334 2.9580 2.9777 2.9884
3.3507 3.3880 3.5839 3.6043 3.6886 3.6924 3.9347 3.9487
4.1316 4.1352 4.1653 4.1763 4.6245 4.6606 4.8208 4.8319
5.0636 5.0731 5.4257 5.4335 5.6138 5.6732 5.8645 5.8692
5.9381 5.9743 6.0707 6.0971 6.2633 6.2957 6.3747 6.3963
6.8613 6.8712 6.9436 6.9789 7.1103 7.1260 7.6293 7.6614
11.3952 11.4328
k = 0.5000-0.0000 0.2411 ( 6022 PWs) bands (ev):
-7.2137 -7.2132 -6.9965 -6.9954 -6.6593 -6.6586 -6.6255 -6.6242
1.2406 1.2534 1.4370 1.4418 1.5498 1.6015 1.6533 1.6959
1.9228 1.9854 2.2102 2.2883 2.4215 2.4334 2.4648 2.4993
2.7315 2.7489 2.8929 2.9047 2.9425 2.9621 2.9864 2.9897
3.3492 3.3865 3.5822 3.6005 3.6853 3.6883 3.9400 3.9546
4.1198 4.1248 4.1643 4.1764 4.6209 4.6546 4.8002 4.8108
5.0976 5.1049 5.4352 5.4421 5.6141 5.6733 5.8469 5.8522
5.9505 5.9819 6.0541 6.0851 6.2543 6.2887 6.3335 6.3547
6.8297 6.8367 6.9706 7.0099 7.1185 7.1383 7.6226 7.6540
11.3417 11.3794
k = 0.5000-0.0000 0.2239 ( 6018 PWs) bands (ev):
-7.2253 -7.2248 -7.0042 -7.0031 -6.6471 -6.6465 -6.6178 -6.6166
1.2454 1.2594 1.4411 1.4457 1.5365 1.5842 1.6593 1.6970
1.9263 1.9879 2.2129 2.2886 2.4263 2.4375 2.4662 2.5021
2.7486 2.7645 2.9044 2.9158 2.9523 2.9626 2.9928 2.9998
3.3478 3.3846 3.5806 3.5963 3.6823 3.6844 3.9452 3.9601
4.1076 4.1135 4.1641 4.1765 4.6166 4.6476 4.7791 4.7892
5.1337 5.1388 5.4443 5.4501 5.6150 5.6738 5.8308 5.8367
5.9627 5.9870 6.0369 6.0744 6.2429 6.2747 6.2991 6.3154
6.8013 6.8056 6.9877 7.0253 7.1417 7.1599 7.6147 7.6452
11.2885 11.3258
k = 0.5000-0.0000 0.2067 ( 6016 PWs) bands (ev):
-7.2362 -7.2357 -7.0115 -7.0105 -6.6357 -6.6351 -6.6105 -6.6094
1.2497 1.2648 1.4446 1.4484 1.5246 1.5684 1.6658 1.6993
1.9299 1.9894 2.2171 2.2895 2.4311 2.4419 2.4676 2.5045
2.7639 2.7785 2.9149 2.9242 2.9626 2.9628 2.9985 3.0147
3.3465 3.3824 3.5790 3.5918 3.6795 3.6807 3.9501 3.9653
4.0952 4.1018 4.1642 4.1767 4.6116 4.6400 4.7578 4.7673
5.1712 5.1744 5.4527 5.4575 5.6167 5.6746 5.8163 5.8228
5.9744 5.9885 6.0194 6.0662 6.2281 6.2447 6.2800 6.2808
6.7760 6.7779 6.9955 7.0274 7.1771 7.1900 7.6058 7.6353
11.2362 11.2726
k = 0.5000-0.0000 0.1895 ( 6004 PWs) bands (ev):
-7.2464 -7.2460 -7.0183 -7.0173 -6.6249 -6.6244 -6.6037 -6.6026
1.2534 1.2694 1.4473 1.4497 1.5151 1.5550 1.6723 1.7021
1.9334 1.9901 2.2226 2.2908 2.4357 2.4465 2.4691 2.5067
2.7777 2.7912 2.9234 2.9296 2.9644 2.9730 3.0072 3.0300
3.3453 3.3798 3.5773 3.5870 3.6770 3.6771 3.9549 3.9701
4.0829 4.0899 4.1646 4.1768 4.6062 4.6320 4.7367 4.7455
5.2097 5.2112 5.4605 5.4641 5.6190 5.6756 5.8034 5.8104
5.9843 5.9851 6.0028 6.0616 6.2080 6.2099 6.2510 6.2680
6.7539 6.7541 6.9968 7.0230 7.2178 7.2255 7.5963 7.6246
11.1857 11.2207
k = 0.5000-0.0000 0.1722 ( 6006 PWs) bands (ev):
-7.2559 -7.2555 -7.0246 -7.0237 -6.6150 -6.6145 -6.5973 -6.5963
1.2565 1.2730 1.4491 1.4493 1.5087 1.5440 1.6785 1.7052
1.9368 1.9898 2.2292 2.2925 2.4402 2.4513 2.4707 2.5084
2.7899 2.8024 2.9290 2.9324 2.9687 2.9829 3.0188 3.0453
3.3442 3.3768 3.5755 3.5820 3.6738 3.6746 3.9594 3.9744
4.0709 4.0782 4.1650 4.1768 4.6007 4.6238 4.7157 4.7238
5.2486 5.2487 5.4675 5.4700 5.6220 5.6769 5.7921 5.7995
5.9767 5.9794 6.0003 6.0605 6.1765 6.1823 6.2292 6.2549
6.7334 6.7353 6.9943 7.0158 7.2596 7.2633 7.5864 7.6135
11.1374 11.1707
k = 0.5000-0.0000 0.1550 ( 6002 PWs) bands (ev):
-7.2645 -7.2642 -7.0304 -7.0296 -6.6058 -6.6055 -6.5914 -6.5906
1.2589 1.2754 1.4476 1.4501 1.5054 1.5356 1.6844 1.7081
1.9400 1.9888 2.2367 2.2945 2.4444 2.4560 2.4724 2.5098
2.8008 2.8123 2.9313 2.9333 2.9758 2.9923 3.0323 3.0601
3.3434 3.3736 3.5736 3.5769 3.6707 3.6724 3.9637 3.9783
4.0594 4.0668 4.1654 4.1765 4.5952 4.6157 4.6954 4.7027
5.2864 5.2874 5.4737 5.4752 5.6256 5.6783 5.7824 5.7901
5.9622 5.9648 6.0094 6.0620 6.1457 6.1545 6.2117 6.2408
6.7164 6.7194 6.9899 7.0077 7.3005 7.3013 7.5766 7.6022
11.0921 11.1232
k = 0.5000-0.0000 0.1378 ( 6008 PWs) bands (ev):
-7.2724 -7.2720 -7.0356 -7.0349 -6.5976 -6.5973 -6.5861 -6.5854
1.2604 1.2765 1.4453 1.4503 1.5044 1.5296 1.6899 1.7108
1.9432 1.9872 2.2449 2.2967 2.4484 2.4604 2.4743 2.5107
2.8104 2.8210 2.9315 2.9330 2.9845 3.0010 3.0468 3.0742
3.3426 3.3702 3.5713 3.5718 3.6679 3.6704 3.9678 3.9816
4.0486 4.0560 4.1657 4.1761 4.5898 4.6078 4.6760 4.6825
5.3238 5.3256 5.4790 5.4796 5.6298 5.6797 5.7742 5.7820
5.9443 5.9505 6.0187 6.0644 6.1177 6.1276 6.1961 6.2259
6.7025 6.7061 6.9846 6.9994 7.3381 7.3394 7.5671 7.5910
11.0502 11.0787
k = 0.5000-0.0000 0.1206 ( 6008 PWs) bands (ev):
-7.2793 -7.2790 -7.0403 -7.0396 -6.5902 -6.5900 -6.5813 -6.5808
1.2613 1.2765 1.4433 1.4499 1.5051 1.5255 1.6949 1.7132
1.9462 1.9851 2.2532 2.2988 2.4522 2.4642 2.4767 2.5113
2.8189 2.8285 2.9306 2.9320 2.9938 3.0089 3.0614 3.0873
3.3420 3.3667 3.5669 3.5688 3.6655 3.6685 3.9716 3.9845
4.0388 4.0459 4.1661 4.1754 4.5849 4.6003 4.6579 4.6636
5.3602 5.3627 5.4834 5.4835 5.6344 5.6810 5.7675 5.7752
5.9266 5.9351 6.0274 6.0670 6.0929 6.1028 6.1816 6.2106
6.6914 6.6953 6.9791 6.9914 7.3726 7.3754 7.5584 7.5804
11.0122 11.0379
k = 0.5000-0.0000 0.1033 ( 6000 PWs) bands (ev):
-7.2854 -7.2852 -7.0443 -7.0438 -6.5838 -6.5837 -6.5771 -6.5767
1.2617 1.2753 1.4419 1.4493 1.5065 1.5228 1.6995 1.7152
1.9491 1.9826 2.2617 2.3008 2.4557 2.4671 2.4797 2.5114
2.8263 2.8349 2.9292 2.9306 3.0029 3.0162 3.0755 3.0991
3.3417 3.3631 3.5622 3.5660 3.6635 3.6668 3.9753 3.9869
4.0301 4.0366 4.1663 4.1745 4.5804 4.5935 4.6415 4.6463
5.3949 5.3978 5.4867 5.4872 5.6394 5.6820 5.7621 5.7695
5.9096 5.9192 6.0350 6.0678 6.0728 6.0809 6.1684 6.1954
6.6827 6.6866 6.9738 6.9839 7.4039 7.4078 7.5506 7.5706
10.9787 11.0013
k = 0.5000-0.0000 0.0861 ( 6002 PWs) bands (ev):
-7.2906 -7.2904 -7.0478 -7.0473 -6.5785 -6.5785 -6.5734 -6.5731
1.2617 1.2735 1.4413 1.4486 1.5084 1.5212 1.7035 1.7166
1.9520 1.9800 2.2698 2.3024 2.4588 2.4690 2.4834 2.5111
2.8327 2.8401 2.9278 2.9290 3.0113 3.0225 3.0887 3.1094
3.3415 3.3595 3.5581 3.5630 3.6618 3.6652 3.9787 3.9888
4.0227 4.0284 4.1665 4.1735 4.5766 4.5873 4.6269 4.6310
5.4271 5.4302 5.4897 5.4903 5.6448 5.6826 5.7581 5.7648
5.8936 5.9035 6.0413 6.0527 6.0623 6.0710 6.1568 6.1808
6.6761 6.6796 6.9690 6.9772 7.4314 7.4357 7.5443 7.5619
10.9500 10.9691
k = 0.5000-0.0000 0.0689 ( 5998 PWs) bands (ev):
-7.2949 -7.2947 -7.0506 -7.0503 -6.5742 -6.5741 -6.5702 -6.5701
1.2615 1.2712 1.4414 1.4479 1.5103 1.5201 1.7071 1.7176
1.9547 1.9772 2.2773 2.3035 2.4616 2.4701 2.4875 2.5103
2.8381 2.8442 2.9264 2.9275 3.0188 3.0277 3.1006 3.1177
3.3417 3.3561 3.5546 3.5599 3.6606 3.6638 3.9819 3.9902
4.0165 4.0214 4.1666 4.1723 4.5735 4.5819 4.6147 4.6180
5.4554 5.4586 5.4928 5.4931 5.6503 5.6823 5.7552 5.7610
5.8792 5.8886 6.0381 6.0421 6.0514 6.0712 6.1472 6.1676
6.6713 6.6743 6.9651 6.9714 7.4542 7.4586 7.5398 7.5548
10.9264 10.9419
k = 0.5000-0.0000 0.0517 ( 6000 PWs) bands (ev):
-7.2982 -7.2981 -7.0528 -7.0526 -6.5711 -6.5709 -6.5676 -6.5676
1.2614 1.2688 1.4420 1.4472 1.5122 1.5193 1.7102 1.7181
1.9575 1.9743 2.2842 2.3038 2.4641 2.4705 2.4915 2.5090
2.8425 2.8472 2.9252 2.9261 3.0251 3.0317 3.1108 3.1240
3.3421 3.3529 3.5520 3.5568 3.6598 3.6625 3.9847 3.9911
4.0118 4.0155 4.1668 4.1712 4.5713 4.5774 4.6050 4.6075
5.4770 5.4804 5.4973 5.4977 5.6558 5.6812 5.7534 5.7579
5.8669 5.8750 6.0269 6.0318 6.0537 6.0704 6.1403 6.1561
6.6679 6.6702 6.9620 6.9667 7.4717 7.4756 7.5377 7.5495
10.9082 10.9200
k = 0.5000-0.0000 0.0344 ( 5992 PWs) bands (ev):
-7.3006 -7.3005 -7.0544 -7.0542 -6.5689 -6.5687 -6.5657 -6.5656
1.2616 1.2665 1.4429 1.4465 1.5139 1.5185 1.7128 1.7181
1.9602 1.9714 2.2902 2.3032 2.4661 2.4704 2.4954 2.5072
2.8459 2.8491 2.9244 2.9250 3.0299 3.0344 3.1190 3.1280
3.3428 3.3501 3.5504 3.5541 3.6595 3.6614 3.9871 3.9915
4.0086 4.0111 4.1672 4.1701 4.5699 4.5739 4.5980 4.5997
5.4873 5.4897 5.5078 5.5079 5.6614 5.6790 5.7525 5.7556
5.8578 5.8638 6.0192 6.0227 6.0572 6.0687 6.1361 6.1470
6.6658 6.6674 6.9599 6.9630 7.4837 7.4866 7.5379 7.5460
10.8957 10.9036
k = 0.5000-0.0000 0.0172 ( 5984 PWs) bands (ev):
-7.3020 -7.3019 -7.0553 -7.0552 -6.5676 -6.5675 -6.5644 -6.5643
1.2621 1.2645 1.4439 1.4457 1.5154 1.5177 1.7149 1.7175
1.9629 1.9685 2.2951 2.3016 2.4678 2.4700 2.4990 2.5050
2.8483 2.8499 2.9240 2.9243 3.0334 3.0356 3.1250 3.1296
3.3440 3.3476 3.5499 3.5519 3.6596 3.6606 3.9891 3.9913
4.0068 4.0081 4.1676 4.1691 4.5694 4.5714 4.5939 4.5948
5.4905 5.4916 5.5180 5.5181 5.6668 5.6759 5.7524 5.7539
5.8525 5.8558 6.0149 6.0168 6.0605 6.0663 6.1349 6.1404
6.6648 6.6656 6.9589 6.9605 7.4906 7.4920 7.5398 7.5438
10.8889 10.8928
k = 0.5000-0.0000-0.0000 ( 5942 PWs) bands (ev):
-7.3024 -7.3024 -7.0556 -7.0556 -6.5672 -6.5672 -6.5639 -6.5639
1.2631 1.2631 1.4449 1.4449 1.5167 1.5167 1.7165 1.7165
1.9657 1.9657 2.2989 2.2989 2.4691 2.4691 2.5023 2.5023
2.8497 2.8497 2.9240 2.9240 3.0352 3.0352 3.1285 3.1285
3.3457 3.3457 3.5505 3.5505 3.6600 3.6600 3.9906 3.9906
4.0067 4.0067 4.1684 4.1684 4.5700 4.5700 4.5929 4.5929
5.4917 5.4917 5.5218 5.5218 5.6718 5.6718 5.7530 5.7530
5.8519 5.8519 6.0144 6.0144 6.0635 6.0635 6.1364 6.1364
6.6650 6.6650 6.9591 6.9591 7.4932 7.4932 7.5419 7.5419
10.8879 10.8879
k = 0.5000 0.4995-0.0000 ( 6024 PWs) bands (ev):
-6.9883 -6.9883 -6.8915 -6.8915 -6.8505 -6.8505 -6.7698 -6.7698
1.1639 1.1639 1.3591 1.3591 1.5305 1.5305 1.8762 1.8762
2.0796 2.0796 2.3347 2.3347 2.3711 2.3711 2.4055 2.4055
2.4815 2.4815 2.7554 2.7554 2.8412 2.8412 2.9532 2.9532
3.4321 3.4321 3.6006 3.6006 3.7236 3.7236 3.8590 3.8590
4.1556 4.1556 4.1709 4.1709 4.5478 4.5478 4.9979 4.9979
5.0928 5.0928 5.3059 5.3059 5.6666 5.6666 5.8413 5.8413
6.2292 6.2292 6.2469 6.2469 6.3173 6.3173 6.3673 6.3673
6.9414 6.9414 7.0762 7.0762 7.3415 7.3415 7.5815 7.5815
11.3828 11.3828
k = 0.5000 0.4995 0.0172 ( 6032 PWs) bands (ev):
-6.9881 -6.9881 -6.8914 -6.8914 -6.8505 -6.8505 -6.7699 -6.7699
1.1625 1.1626 1.3552 1.3585 1.5268 1.5307 1.8656 1.8667
2.0881 2.0898 2.3348 2.3365 2.3718 2.3729 2.4045 2.4079
2.4800 2.4838 2.7534 2.7584 2.8377 2.8452 2.9528 2.9531
3.4321 3.4329 3.5986 3.6026 3.7231 3.7255 3.8588 3.8603
4.1554 4.1555 4.1691 4.1721 4.5474 4.5499 4.9965 4.9994
5.0912 5.0946 5.3052 5.3059 5.6616 5.6698 5.8374 5.8442
6.2262 6.2267 6.2514 6.2555 6.3118 6.3170 6.3683 6.3780
6.9423 6.9424 7.0765 7.0765 7.3418 7.3421 7.5809 7.5814
11.3785 11.3788
k = 0.5000 0.4995 0.0344 ( 6048 PWs) bands (ev):
-6.9875 -6.9875 -6.8912 -6.8911 -6.8505 -6.8504 -6.7702 -6.7701
1.1584 1.1586 1.3468 1.3531 1.5199 1.5275 1.8393 1.8411
2.1113 2.1142 2.3368 2.3402 2.3747 2.3769 2.4050 2.4117
2.4793 2.4869 2.7523 2.7625 2.8347 2.8498 2.9517 2.9523
3.4328 3.4345 3.5966 3.6045 3.7240 3.7288 3.8600 3.8629
4.1548 4.1552 4.1667 4.1728 4.5487 4.5537 4.9953 5.0011
5.0898 5.0965 5.3039 5.3053 5.6549 5.6710 5.8326 5.8459
6.2224 6.2242 6.2646 6.2715 6.3051 6.3119 6.3804 6.3959
6.9450 6.9453 7.0773 7.0774 7.3429 7.3436 7.5795 7.5805
11.3658 11.3664
k = 0.5000 0.4995 0.0517 ( 6028 PWs) bands (ev):
-6.9865 -6.9865 -6.8908 -6.8907 -6.8503 -6.8502 -6.7706 -6.7705
1.1517 1.1520 1.3343 1.3433 1.5099 1.5208 1.8043 1.8063
2.1424 2.1461 2.3409 2.3460 2.3795 2.3824 2.4075 2.4168
2.4796 2.4907 2.7522 2.7676 2.8323 2.8549 2.9502 2.9510
3.4343 3.4368 3.5948 3.6065 3.7265 3.7336 3.8624 3.8667
4.1539 4.1546 4.1640 4.1733 4.5518 4.5591 4.9944 5.0029
5.0887 5.0985 5.3020 5.3041 5.6473 5.6706 5.8272 5.8467
6.2210 6.2240 6.2832 6.2910 6.2995 6.3075 6.3994 6.4183
6.9496 6.9501 7.0787 7.0790 7.3450 7.3459 7.5774 7.5789
11.3448 11.3457
k = 0.5000 0.4995 0.0689 ( 6020 PWs) bands (ev):
-6.9851 -6.9850 -6.8902 -6.8901 -6.8502 -6.8500 -6.7712 -6.7711
1.1425 1.1429 1.3182 1.3294 1.4972 1.5106 1.7647 1.7669
2.1768 2.1810 2.3468 2.3538 2.3854 2.3883 2.4125 2.4234
2.4807 2.4953 2.7530 2.7738 2.8304 2.8605 2.9481 2.9492
3.4365 3.4396 3.5930 3.6084 3.7307 3.7396 3.8661 3.8716
4.1523 4.1534 4.1611 4.1734 4.5565 4.5661 4.9937 5.0048
5.0877 5.1003 5.2994 5.3022 5.6389 5.6687 5.8213 5.8465
6.2225 6.2263 6.2959 6.2984 6.3065 6.3210 6.4228 6.4442
6.9560 6.9565 7.0805 7.0811 7.3481 7.3490 7.5746 7.5766
11.3157 11.3170
k = 0.5000 0.4995 0.0861 ( 6012 PWs) bands (ev):
-6.9833 -6.9832 -6.8895 -6.8893 -6.8500 -6.8498 -6.7720 -6.7718
1.1310 1.1314 1.2991 1.3118 1.4819 1.4972 1.7230 1.7251
2.2122 2.2167 2.3544 2.3635 2.3919 2.3938 2.4206 2.4313
2.4828 2.5006 2.7547 2.7809 2.8292 2.8666 2.9456 2.9467
3.4393 3.4427 3.5913 3.6100 3.7365 3.7470 3.8710 3.8776
4.1500 4.1510 4.1590 4.1735 4.5627 4.5746 4.9933 5.0066
5.0867 5.1017 5.2961 5.2997 5.6305 5.6657 5.8152 5.8453
6.2268 6.2311 6.2947 6.2971 6.3338 6.3493 6.4498 6.4731
6.9641 6.9646 7.0826 7.0838 7.3521 7.3530 7.5711 7.5736
11.2788 11.2806
k = 0.5000 0.4995 0.1033 ( 6000 PWs) bands (ev):
-6.9812 -6.9810 -6.8886 -6.8884 -6.8497 -6.8495 -6.7729 -6.7727
1.1174 1.1179 1.2773 1.2912 1.4644 1.4808 1.6802 1.6822
2.2473 2.2521 2.3634 2.3750 2.3987 2.3990 2.4314 2.4404
2.4860 2.5066 2.7572 2.7887 2.8286 2.8730 2.9426 2.9438
3.4425 3.4462 3.5896 3.6115 3.7440 3.7557 3.8770 3.8845
4.1469 4.1470 4.1579 4.1737 4.5703 4.5843 4.9931 5.0083
5.0857 5.1025 5.2922 5.2964 5.6226 5.6621 5.8092 5.8435
6.2336 6.2383 6.2959 6.2976 6.3651 6.3817 6.4797 6.5044
6.9738 6.9743 7.0850 7.0870 7.3571 7.3577 7.5671 7.5699
11.2344 11.2366
k = 0.5000 0.4995 0.1206 ( 6016 PWs) bands (ev):
-6.9786 -6.9785 -6.8876 -6.8874 -6.8494 -6.8492 -6.7740 -6.7738
1.1019 1.1024 1.2535 1.2681 1.4448 1.4620 1.6371 1.6390
2.2814 2.2862 2.3731 2.3878 2.4043 2.4057 2.4440 2.4503
2.4903 2.5132 2.7604 2.7971 2.8288 2.8797 2.9391 2.9403
3.4459 3.4496 3.5878 3.6125 3.7532 3.7657 3.8841 3.8923
4.1418 4.1430 4.1576 4.1739 4.5791 4.5950 4.9929 5.0098
5.0843 5.1025 5.2876 5.2926 5.6154 5.6582 5.8033 5.8411
6.2429 6.2478 6.2997 6.3007 6.3998 6.4173 6.5122 6.5380
6.9849 6.9852 7.0876 7.0906 7.3630 7.3632 7.5626 7.5657
11.1831 11.1857
k = 0.5000 0.4995 0.1378 ( 6012 PWs) bands (ev):
-6.9757 -6.9756 -6.8864 -6.8862 -6.8491 -6.8488 -6.7753 -6.7751
1.0847 1.0853 1.2282 1.2430 1.4236 1.4409 1.5941 1.5960
2.3139 2.3186 2.3831 2.4014 2.4106 2.4136 2.4579 2.4605
2.4958 2.5205 2.7641 2.8054 2.8303 2.8866 2.9355 2.9364
3.4496 3.4531 3.5860 3.6132 3.7641 3.7770 3.8922 3.9008
4.1359 4.1384 4.1579 4.1743 4.5890 4.6068 4.9929 5.0110
5.0827 5.1015 5.2825 5.2881 5.6097 5.6546 5.7978 5.8382
6.2547 6.2597 6.3060 6.3065 6.4377 6.4557 6.5470 6.5735
6.9975 6.9975 7.0903 7.0946 7.3694 7.3698 7.5577 7.5610
11.1254 11.1282
k = 0.5000 0.4995 0.1550 ( 6012 PWs) bands (ev):
-6.9725 -6.9723 -6.8851 -6.8849 -6.8487 -6.8484 -6.7767 -6.7765
1.0662 1.0668 1.2017 1.2165 1.4011 1.4182 1.5517 1.5536
2.3441 2.3483 2.3931 2.4137 2.4181 2.4243 2.4706 2.4725
2.5026 2.5284 2.7684 2.8127 2.8338 2.8935 2.9318 2.9320
3.4532 3.4565 3.5842 3.6136 3.7765 3.7893 3.9013 3.9101
4.1294 4.1331 4.1585 4.1749 4.5998 4.6194 4.9930 5.0118
5.0806 5.0994 5.2768 5.2832 5.6055 5.6516 5.7928 5.8351
6.2687 6.2740 6.3150 6.3152 6.4782 6.4962 6.5836 6.6105
7.0108 7.0112 7.0931 7.0989 7.3763 7.3776 7.5526 7.5560
11.0619 11.0642
k = 0.5000 0.4995 0.1722 ( 6012 PWs) bands (ev):
-6.9689 -6.9687 -6.8837 -6.8834 -6.8484 -6.8480 -6.7784 -6.7781
1.0466 1.0472 1.1744 1.1890 1.3775 1.3942 1.5102 1.5120
2.3708 2.3743 2.4038 2.4243 2.4271 2.4389 2.4806 2.4875
2.5106 2.5367 2.7732 2.8178 2.8405 2.8998 2.9273 2.9284
3.4568 3.4596 3.5824 3.6136 3.7902 3.8026 3.9111 3.9199
4.1225 4.1272 4.1594 4.1756 4.6114 4.6325 4.9929 5.0122
5.0780 5.0961 5.2709 5.2780 5.6030 5.6492 5.7882 5.8316
6.2852 6.2906 6.3266 6.3267 6.5208 6.5385 6.6218 6.6488
7.0251 7.0260 7.0960 7.1035 7.3838 7.3861 7.5474 7.5507
10.9926 10.9938
k = 0.5000 0.4995 0.1895 ( 6016 PWs) bands (ev):
-6.9651 -6.9649 -6.8822 -6.8819 -6.8480 -6.8477 -6.7802 -6.7799
1.0262 1.0268 1.1468 1.1610 1.3533 1.3694 1.4697 1.4715
2.3906 2.3948 2.4185 2.4363 2.4372 2.4553 2.4905 2.5026
2.5197 2.5456 2.7784 2.8210 2.8497 2.9044 2.9222 2.9266
3.4602 3.4625 3.5806 3.6132 3.8051 3.8167 3.9215 3.9302
4.1153 4.1209 4.1605 4.1766 4.6237 4.6462 4.9926 5.0120
5.0748 5.0915 5.2646 5.2725 5.6023 5.6476 5.7840 5.8280
6.3039 6.3094 6.3409 6.3410 6.5651 6.5821 6.6611 6.6878
7.0401 7.0416 7.0991 7.1084 7.3919 7.3955 7.5422 7.5454
10.9177 10.9184
k = 0.5000 0.4995 0.2067 ( 6000 PWs) bands (ev):
-6.9610 -6.9607 -6.8806 -6.8803 -6.8476 -6.8473 -6.7822 -6.7819
1.0053 1.0059 1.1193 1.1329 1.3288 1.3441 1.4304 1.4322
2.4022 2.4090 2.4385 2.4481 2.4515 2.4718 2.5011 2.5177
2.5294 2.5547 2.7839 2.8233 2.8604 2.9055 2.9169 2.9283
3.4634 3.4652 3.5789 3.6125 3.8208 3.8314 3.9324 3.9409
4.1080 4.1141 4.1620 4.1776 4.6364 4.6602 4.9921 5.0111
5.0709 5.0859 5.2583 5.2671 5.6032 5.6470 5.7804 5.8243
6.3249 6.3305 6.3579 6.3580 6.6106 6.6267 6.7009 6.7272
7.0559 7.0577 7.1027 7.1136 7.4006 7.4054 7.5374 7.5402
10.8394 10.8401
k = 0.5000 0.4995 0.2239 ( 6000 PWs) bands (ev):
-6.9566 -6.9564 -6.8790 -6.8786 -6.8473 -6.8469 -6.7843 -6.7841
0.9840 0.9846 1.0919 1.1050 1.3043 1.3186 1.3926 1.3944
2.4098 2.4184 2.4578 2.4613 2.4686 2.4868 2.5134 2.5325
2.5396 2.5641 2.7895 2.8253 2.8716 2.9030 2.9114 2.9331
3.4664 3.4677 3.5773 3.6115 3.8371 3.8466 3.9437 3.9517
4.1006 4.1071 4.1636 4.1788 4.6495 4.6744 4.9910 5.0095
5.0664 5.0792 5.2520 5.2618 5.6056 5.6472 5.7771 5.8205
6.3481 6.3534 6.3772 6.3779 6.6566 6.6715 6.7407 6.7663
7.0722 7.0736 7.1076 7.1192 7.4096 7.4159 7.5331 7.5354
10.7599 10.7606
k = 0.5000 0.4995 0.2411 ( 5992 PWs) bands (ev):
-6.9520 -6.9518 -6.8772 -6.8768 -6.8469 -6.8465 -6.7867 -6.7864
0.9628 0.9634 1.0652 1.0775 1.2800 1.2933 1.3565 1.3583
2.4160 2.4253 2.4691 2.4815 2.4858 2.4990 2.5279 2.5470
2.5501 2.5737 2.7953 2.8272 2.8829 2.8988 2.9059 2.9394
3.4691 3.4699 3.5757 3.6102 3.8537 3.8619 3.9551 3.9626
4.0932 4.0998 4.1654 4.1800 4.6629 4.6887 4.9893 5.0071
5.0612 5.0718 5.2460 5.2568 5.6093 5.6482 5.7742 5.8166
6.3734 6.3780 6.3988 6.4007 6.7026 6.7159 6.7799 6.8044
7.0878 7.0890 7.1154 7.1256 7.4188 7.4266 7.5296 7.5312
10.6803 10.6811
k = 0.5000 0.4995 0.2584 ( 5988 PWs) bands (ev):
-6.9472 -6.9470 -6.8754 -6.8750 -6.8467 -6.8462 -6.7892 -6.7889
0.9417 0.9423 1.0392 1.0507 1.2562 1.2685 1.3221 1.3239
2.4216 2.4309 2.4794 2.5007 2.5022 2.5088 2.5436 2.5609
2.5609 2.5833 2.8011 2.8291 2.8931 2.8939 2.9013 2.9462
3.4715 3.4719 3.5743 3.6087 3.8704 3.8772 3.9665 3.9735
4.0859 4.0925 4.1674 4.1813 4.6764 4.7029 4.9869 5.0038
5.0554 5.0638 5.2404 5.2523 5.6140 5.6499 5.7716 5.8126
6.4007 6.4039 6.4224 6.4264 6.7476 6.7590 6.8177 6.8408
7.0984 7.1060 7.1285 7.1333 7.4282 7.4374 7.5271 7.5277
10.6015 10.6024
k = 0.5000 0.4995 0.2756 ( 6000 PWs) bands (ev):
-6.9423 -6.9420 -6.8736 -6.8732 -6.8464 -6.8459 -6.7919 -6.7916
0.9211 0.9216 1.0142 1.0249 1.2332 1.2443 1.2895 1.2915
2.4268 2.4358 2.4892 2.5167 2.5181 2.5182 2.5585 2.5725
2.5741 2.5928 2.8068 2.8311 2.8887 2.8928 2.9069 2.9529
3.4736 3.4736 3.5730 3.6069 3.8868 3.8921 3.9778 3.9842
4.0788 4.0852 4.1694 4.1824 4.6898 4.7170 4.9836 4.9997
5.0491 5.0553 5.2354 5.2482 5.6193 5.6521 5.7693 5.8086
6.4298 6.4308 6.4478 6.4547 6.7908 6.7998 6.8533 6.8744
7.1068 7.1229 7.1433 7.1462 7.4374 7.4481 7.5255 7.5260
10.5244 10.5253
k = 0.5000 0.4995 0.2928 ( 6000 PWs) bands (ev):
-6.9373 -6.9370 -6.8718 -6.8713 -6.8462 -6.8457 -6.7947 -6.7944
0.9012 0.9017 0.9904 1.0003 1.2111 1.2211 1.2590 1.2610
2.4318 2.4403 2.4985 2.5243 2.5322 2.5339 2.5713 2.5853
2.5865 2.6022 2.8124 2.8331 2.8834 2.8874 2.9173 2.9595
3.4753 3.4755 3.5719 3.6050 3.9028 3.9067 3.9889 3.9947
4.0721 4.0780 4.1714 4.1836 4.7032 4.7309 4.9795 4.9950
5.0424 5.0466 5.2311 5.2447 5.6251 5.6547 5.7672 5.8046
6.4584 6.4604 6.4746 6.4854 6.8308 6.8368 6.8857 6.9043
7.1158 7.1391 7.1575 7.1668 7.4463 7.4584 7.5246 7.5264
10.4497 10.4505
k = 0.5000 0.4995 0.3100 ( 6000 PWs) bands (ev):
-6.9321 -6.9318 -6.8699 -6.8695 -6.8461 -6.8456 -6.7977 -6.7974
0.8821 0.8825 0.9679 0.9770 1.1902 1.1991 1.2305 1.2326
2.4365 2.4445 2.5072 2.5309 2.5456 2.5480 2.5819 2.5980
2.5987 2.6112 2.8178 2.8352 2.8782 2.8819 2.9274 2.9656
3.4767 3.4772 3.5711 3.6028 3.9181 3.9206 3.9994 4.0047
4.0657 4.0710 4.1735 4.1848 4.7165 4.7444 4.9746 4.9896
5.0352 5.0379 5.2276 5.2419 5.6313 5.6577 5.7654 5.8007
6.4867 6.4924 6.5027 6.5181 6.8662 6.8687 6.9139 6.9295
7.1277 7.1549 7.1763 7.1892 7.4545 7.4680 7.5254 7.5286
10.3780 10.3788
k = 0.5000 0.4995 0.3273 ( 5996 PWs) bands (ev):
-6.9270 -6.9266 -6.8681 -6.8676 -6.8460 -6.8455 -6.8008 -6.8005
0.8640 0.8644 0.9470 0.9553 1.1706 1.1783 1.2043 1.2065
2.4411 2.4484 2.5154 2.5368 2.5580 2.5604 2.5911 2.6085
2.6118 2.6200 2.8229 2.8373 2.8731 2.8764 2.9370 2.9713
3.4780 3.4786 3.5704 3.6006 3.9326 3.9338 4.0094 4.0142
4.0599 4.0643 4.1756 4.1859 4.7295 4.7575 4.9690 4.9838
5.0278 5.0293 5.2250 5.2395 5.6374 5.6608 5.7639 5.7968
6.5156 6.5253 6.5314 6.5521 6.8939 6.8956 6.9368 6.9495
7.1440 7.1727 7.1986 7.2131 7.4618 7.4767 7.5280 7.5326
10.3100 10.3107
k = 0.5000 0.4995 0.3445 ( 5996 PWs) bands (ev):
-6.9218 -6.9215 -6.8663 -6.8658 -6.8460 -6.8455 -6.8040 -6.8037
0.8472 0.8476 0.9277 0.9351 1.1525 1.1591 1.1803 1.1826
2.4454 2.4520 2.5229 2.5422 2.5693 2.5714 2.5995 2.6178
2.6238 2.6283 2.8277 2.8393 2.8683 2.8712 2.9460 2.9764
3.4791 3.4799 3.5700 3.5982 3.9460 3.9461 4.0185 4.0230
4.0547 4.0580 4.1777 4.1869 4.7422 4.7700 4.9630 4.9778
5.0202 5.0208 5.2232 5.2377 5.6435 5.6640 5.7627 5.7930
6.5446 6.5590 6.5606 6.5871 6.9118 6.9175 6.9538 6.9640
7.1656 7.1939 7.2231 7.2380 7.4678 7.4840 7.5324 7.5384
10.2463 10.2469
k = 0.5000 0.4995 0.3617 ( 5988 PWs) bands (ev):
-6.9167 -6.9164 -6.8646 -6.8641 -6.8461 -6.8455 -6.8073 -6.8070
0.8317 0.8321 0.9102 0.9168 1.1360 1.1414 1.1587 1.1611
2.4495 2.4553 2.5298 2.5470 2.5794 2.5811 2.6071 2.6258
2.6346 2.6362 2.8321 2.8414 2.8639 2.8664 2.9543 2.9809
3.4801 3.4809 3.5698 3.5958 3.9572 3.9583 4.0264 4.0310
4.0506 4.0523 4.1797 4.1878 4.7545 4.7818 4.9569 4.9718
5.0125 5.0126 5.2221 5.2362 5.6494 5.6671 5.7617 5.7894
6.5736 6.5897 6.5930 6.6225 6.9225 6.9317 6.9648 6.9733
7.1919 7.2189 7.2489 7.2631 7.4723 7.4898 7.5385 7.5455
10.1876 10.1880
k = 0.5000 0.4995 0.3789 ( 5980 PWs) bands (ev):
-6.9118 -6.9115 -6.8629 -6.8624 -6.8462 -6.8457 -6.8106 -6.8102
0.8178 0.8180 0.8945 0.9003 1.1213 1.1255 1.1394 1.1420
2.4533 2.4584 2.5361 2.5511 2.5884 2.5895 2.6141 2.6325
2.6435 2.6441 2.8361 2.8433 2.8598 2.8620 2.9618 2.9848
3.4810 3.4818 3.5699 3.5934 3.9671 3.9693 4.0324 4.0375
4.0479 4.0483 4.1815 4.1886 4.7663 4.7927 4.9508 4.9658
5.0045 5.0050 5.2217 5.2350 5.6549 5.6701 5.7610 5.7858
6.6022 6.6182 6.6269 6.6578 6.9264 6.9388 6.9703 6.9777
7.2216 7.2465 7.2751 7.2877 7.4749 7.4938 7.5458 7.5537
10.1342 10.1346
k = 0.5000 0.4995 0.3962 ( 5976 PWs) bands (ev):
-6.9070 -6.9068 -6.8613 -6.8608 -6.8464 -6.8459 -6.8138 -6.8135
0.8054 0.8057 0.8808 0.8858 1.1083 1.1115 1.1226 1.1253
2.4567 2.4610 2.5417 2.5545 2.5962 2.5967 2.6205 2.6377
2.6503 2.6520 2.8396 2.8450 2.8562 2.8581 2.9685 2.9880
3.4818 3.4825 3.5703 3.5909 3.9758 3.9788 4.0349 4.0392
4.0481 4.0492 4.1832 4.1893 4.7775 4.8026 4.9452 4.9601
4.9970 4.9976 5.2219 5.2340 5.6600 5.6728 5.7607 5.7824
6.6300 6.6457 6.6604 6.6927 6.9247 6.9398 6.9713 6.9776
7.2530 7.2752 7.3014 7.3110 7.4755 7.4958 7.5539 7.5623
10.0868 10.0871
k = 0.5000 0.4995 0.4134 ( 5964 PWs) bands (ev):
-6.9026 -6.9024 -6.8598 -6.8593 -6.8467 -6.8462 -6.8169 -6.8166
0.7948 0.7950 0.8692 0.8733 1.0973 1.0994 1.1084 1.1111
2.4598 2.4634 2.5467 2.5574 2.6028 2.6028 2.6263 2.6417
2.6563 2.6587 2.8427 2.8464 2.8531 2.8547 2.9745 2.9906
3.4825 3.4831 3.5710 3.5885 3.9831 3.9867 4.0345 4.0365
4.0526 4.0529 4.1848 4.1898 4.7880 4.8112 4.9404 4.9549
4.9900 4.9905 5.2225 5.2331 5.6646 5.6751 5.7607 5.7791
6.6565 6.6716 6.6932 6.7267 6.9183 6.9360 6.9688 6.9739
7.2843 7.3027 7.3275 7.3323 7.4737 7.4954 7.5623 7.5707
10.0459 10.0460
k = 0.5000 0.4995 0.4306 ( 5960 PWs) bands (ev):
-6.8987 -6.8984 -6.8584 -6.8579 -6.8471 -6.8466 -6.8198 -6.8195
0.7860 0.7861 0.8596 0.8629 1.0882 1.0894 1.0967 1.0994
2.4624 2.4653 2.5510 2.5595 2.6078 2.6081 2.6314 2.6445
2.6614 2.6639 2.8451 2.8474 2.8505 2.8521 2.9797 2.9924
3.4830 3.4836 3.5718 3.5861 3.9890 3.9930 4.0333 4.0338
4.0569 4.0570 4.1862 4.1901 4.7977 4.8181 4.9366 4.9501
4.9838 4.9841 5.2233 5.2322 5.6687 5.6770 5.7610 5.7760
6.6810 6.6949 6.7250 6.7593 6.9078 6.9285 6.9636 6.9672
7.3141 7.3265 7.3509 7.3539 7.4692 7.4923 7.5705 7.5783
10.0118 10.0118
k = 0.5000 0.4995 0.4478 ( 5968 PWs) bands (ev):
-6.8953 -6.8951 -6.8572 -6.8568 -6.8475 -6.8470 -6.8222 -6.8220
0.7791 0.7792 0.8522 0.8547 1.0811 1.0816 1.0877 1.0901
2.4646 2.4667 2.5545 2.5609 2.6117 2.6121 2.6359 2.6461
2.6656 2.6678 2.8469 2.8475 2.8487 2.8507 2.9840 2.9935
3.4835 3.4839 3.5729 3.5838 3.9935 3.9973 4.0318 4.0322
4.0604 4.0605 4.1873 4.1902 4.8064 4.8230 4.9341 4.9457
4.9785 4.9786 5.2244 5.2312 5.6721 5.6783 5.7617 5.7731
6.7028 6.7147 6.7553 6.7902 6.8940 6.9180 6.9569 6.9590
7.3405 7.3455 7.3672 7.3801 7.4618 7.4861 7.5779 7.5845
9.9849 9.9849
k = 0.5000 0.4995 0.4651 ( 5980 PWs) bands (ev):
-6.8927 -6.8926 -6.8562 -6.8559 -6.8478 -6.8475 -6.8242 -6.8240
0.7741 0.7742 0.8471 0.8487 1.0760 1.0760 1.0814 1.0833
2.4662 2.4676 2.5573 2.5616 2.6145 2.6149 2.6396 2.6467
2.6688 2.6704 2.8466 2.8466 2.8490 2.8506 2.9875 2.9938
3.4838 3.4840 3.5742 3.5816 3.9969 3.9999 4.0307 4.0314
4.0630 4.0631 4.1883 4.1902 4.8138 4.8257 4.9332 4.9418
4.9743 4.9744 5.2256 5.2303 5.6748 5.6789 5.7626 5.7703
6.7207 6.7296 6.7839 6.8189 6.8771 6.9045 6.9501 6.9508
7.3594 7.3602 7.3836 7.4049 7.4515 7.4767 7.5841 7.5888
9.9654 9.9655
k = 0.5000 0.4995 0.4823 ( 6008 PWs) bands (ev):
-6.8911 -6.8910 -6.8555 -6.8553 -6.8480 -6.8478 -6.8254 -6.8253
0.7711 0.7711 0.8441 0.8449 1.0727 1.0728 1.0779 1.0789
2.4673 2.4680 2.5594 2.5616 2.6162 2.6165 2.6427 2.6462
2.6709 2.6717 2.8457 2.8458 2.8499 2.8506 2.9903 2.9934
3.4839 3.4841 3.5757 3.5794 3.9992 4.0008 4.0303 4.0308
4.0646 4.0646 4.1890 4.1899 4.8197 4.8259 4.9337 4.9383
4.9716 4.9717 5.2268 5.2291 5.6768 5.6789 5.7640 5.7678
6.7335 6.7383 6.8106 6.8449 6.8575 6.8880 6.9447 6.9448
7.3683 7.3700 7.4024 7.4268 7.4386 7.4638 7.5885 7.5909
9.9537 9.9537
k = 0.5000 0.4995 0.4995 ( 6008 PWs) bands (ev):
-6.8905 -6.8905 -6.8552 -6.8552 -6.8480 -6.8480 -6.8258 -6.8258
0.7701 0.7701 0.8434 0.8434 1.0716 1.0716 1.0771 1.0771
2.4679 2.4679 2.5609 2.5609 2.6169 2.6169 2.6449 2.6449
2.6719 2.6719 2.8454 2.8454 2.8504 2.8504 2.9922 2.9922
3.4840 3.4840 3.5775 3.5775 4.0005 4.0005 4.0305 4.0305
4.0651 4.0651 4.1896 4.1896 4.8238 4.8238 4.9355 4.9355
4.9707 4.9707 5.2280 5.2280 5.6782 5.6782 5.7657 5.7657
6.7397 6.7397 6.8352 6.8352 6.8682 6.8682 6.9426 6.9426
7.3721 7.3721 7.4210 7.4210 7.4477 7.4477 7.5908 7.5908
9.9498 9.9498
Writing output data file FeCuSe2.save
init_run : 2.74s CPU 13.33s WALL ( 1 calls)
electrons : 1564.56s CPU 1584.91s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.00s WALL ( 1 calls)
potinit : 0.30s CPU 1.56s WALL ( 1 calls)
Called by electrons:
c_bands : 1564.53s CPU 1584.61s WALL ( 1 calls)
v_of_rho : 0.19s CPU 0.97s WALL ( 1 calls)
v_h : 0.01s CPU 0.01s WALL ( 1 calls)
v_xc : 0.18s CPU 0.57s WALL ( 1 calls)
newd : 0.37s CPU 0.61s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.05s CPU 0.16s WALL ( 360 calls)
cegterg : 1493.96s CPU 1510.48s WALL ( 981 calls)
Called by sum_band:
Called by *egterg:
h_psi : 468.00s CPU 479.38s WALL ( 17430 calls)
s_psi : 60.66s CPU 61.69s WALL ( 17430 calls)
g_psi : 1.43s CPU 1.42s WALL ( 16089 calls)
cdiaghg : 740.84s CPU 738.92s WALL ( 16449 calls)
cegterg:over : 131.41s CPU 126.89s WALL ( 16089 calls)
cegterg:upda : 37.68s CPU 42.06s WALL ( 16089 calls)
cegterg:last : 27.59s CPU 28.28s WALL ( 2146 calls)
Called by h_psi:
h_psi:vloc : 343.89s CPU 352.85s WALL ( 17430 calls)
h_psi:vnl : 123.43s CPU 125.00s WALL ( 17430 calls)
add_vuspsi : 44.96s CPU 50.76s WALL ( 17430 calls)
General routines
calbec : 78.40s CPU 74.07s WALL ( 17430 calls)
fft : 0.27s CPU 1.01s WALL ( 19 calls)
ffts : 0.00s CPU 0.10s WALL ( 4 calls)
fftw : 327.48s CPU 333.36s WALL ( 1938008 calls)
interpolate : 0.01s CPU 0.11s WALL ( 4 calls)
davcio : 0.03s CPU 2.58s WALL ( 720 calls)
Parallel routines
fft_scatter : 214.44s CPU 217.78s WALL ( 1938031 calls)
PWSCF : 27m32.38s CPU 30m28.95s WALL
This run was terminated on: 11:18:28 15Jun2016
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=